SCHEMBL331707

SCHEMBL331707

Cc1ncc2c(N)ccc(F)c2n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
PDPK1 O15530 2/20 0.35
LMNA P02545 1/20 0.32
PDE10A Q9Y233 1/20 0.32
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
ADORA2A P29274 2/20 0.31
DAPK3 O43293 1/20 0.30
PRKD3 O94806 1/20 0.30
FLT1 P17948 1/20 0.30
RPS6KA3 P51812 1/20 0.30
LRRK2 Q5S007 1/20 0.30
CYBB P04839 1/20 0.30
NCF1 P14598 1/20 0.30
CYP1A2 P05177 1/20 0.30
TSHR P16473 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL332063 0.85 PDE10A (0.37) PDE10A
SCHEMBL1260198 0.77 PDPK1 (0.32) PDPK1LMNA
SCHEMBL3961491 0.74 CCR1 (0.41) MAPTADORA2A
SCHEMBL5930874 0.70 RPS6KB1 (0.35) MAPT
SCHEMBL3532504 0.69 NCF1 (0.44) LMNACYBBNCF1TSHR
SCHEMBL4718515 0.69 MAPT (0.46) MAPTPDPK1CYP1A2
SCHEMBL331708 0.68 CCR1 (0.33)
SCHEMBL3530216 0.68 NPC1 (0.38) MAPTLMNAPDE10ACYP1A2
SCHEMBL1261718 0.67 ALDH1A1 (0.47) MAPTLMNAADORA2ANCF1CYP1A2
SCHEMBL17531169 0.67 PDK2 (0.33)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101087780-A Tricyclic amino alcohols, processes for synthesis of same and use of same as anti-inflammatory drugs BAYER SCHERING PHARMA AG (DE) 2007-12-12 CN claimed
US-20060167025-A1 Tricyclic amino alcohols, processes for synthesis of same and use of same as anti-inflammatory drugs SCHERING AG (DE) 2006-07-27 US claimed
WO-2006066950-A2 TRICYCLIC AMINOALCOHOLS, METHODS FOR PRODUCING THE SAME AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-06-29 WO claimed
US-8097627-B2 Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents Bayer Pharma AG (DE) 2012-01-17 US disclosed
EP-1994005-B9 TETRAHYDRONAPHTHALINE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS Bayer Pharma AG (DE) 2012-01-11 EP disclosed
EP-1994005-B1 TETRAHYDRONAPHTHALINE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AG (DE) 2011-07-20 EP disclosed
US-7880042-B2 antiinflammatory agents; (5 alpha ,6 alpha ,8 beta )-2-fluoro-8-methyl-5-[(2-methylquinoline-5-yl)amino]-6-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalene-1,6-diol; side effect reduction BAYER SCHERING PHARMA AG (DE) 2011-02-01 US disclosed
US-20100298311-A1 TETRAHYDRONAPHTHALENE DERIVATES, PROCESS FOR PREPARING THEM AND THEIR USE AS ANTIINFLAMMATORY AGENTS BERGER MARKUS 2010-11-25 US disclosed
US-20100144742-A1 MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS REHWINKEL HARTMUT 2010-06-10 US disclosed
US-7662821-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines BAYER SCHERING PHARMA AG (DE) 2010-02-16 US disclosed
US-7659297-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines Bayer Schering Pharma, AG (DE) 2010-02-09 US disclosed
US-20050267202-A1 Chromanol derivatives, a process for their production and their use as anti-inflammatory agents Krolikiewicz, Konrad 2005-12-01 US disclosed
US-20050222154-A1 Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-10-06 US disclosed
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-09-22 US disclosed
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-08-04 US disclosed
US-20050131226-A1 Rearranged pentanols, a process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2005-06-16 US disclosed
US-20050090559-A1 Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents SCHERING AG (DE) 2005-04-28 US disclosed
WO-2005035518-A1 REARRANGED PENTANOLS, A METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-21 WO disclosed
WO-2005034939-A1 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS SCHERING AKTIENGESELLSCHAFT (DE) 2005-04-21 WO disclosed
WO-2005003098-A1 HETEROCYCLICALLY SUBSTITUTED PENTANOL DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-13 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050090559-A1 Heterocyclically-substituted pentanol derivatives, process for their production and their use as anti-inflammatory agents IL1B, NFKBIA, BBOX1 MAPT 2912/4885PDPK1 475/4885LMNA 3268/4885
US-20060167025-A1 Tricyclic amino alcohols, processes for synthesis of same and use of same as anti-inflammatory drugs ALDH7A1, NOTUM, GOT2 MAPT 1572/4885PDPK1 3767/4885LMNA 4456/4885
US-20100144742-A1 MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS DHPS, TNF, IL1B MAPT 1199/4885PDPK1 1591/4885LMNA 3918/4885
US-20050267202-A1 Chromanol derivatives, a process for their production and their use as anti-inflammatory agents TNF, PTGES, IL1B MAPT 3168/4885PDPK1 566/4885LMNA 2925/4885
US-20050171109-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES MAPT 672/4885PDPK1 1003/4885LMNA 3390/4885
US-20050222154-A1 Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents DHPS, TNF, IL1B MAPT 1199/4885PDPK1 1591/4885LMNA 3918/4885
US-20050131226-A1 Rearranged pentanols, a process for their production and their use as anti-inflammatory agents TNF, PTGES, PTGES2 MAPT 3214/4885PDPK1 1299/4885LMNA 3044/4885
US-20050209324-A1 Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents TNF, DHPS, PTGES MAPT 672/4885PDPK1 1003/4885LMNA 3390/4885
US-20100298311-A1 TETRAHYDRONAPHTHALENE DERIVATES, PROCESS FOR PREPARING THEM AND THEIR USE AS ANTIINFLAMMATORY AGENTS TNF, IL1B, DHPS MAPT 1238/4885PDPK1 2161/4885LMNA 1207/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.