SCHEMBL3483390

SCHEMBL3483390

C[N]Cc1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.48
C3AR1 Q16581 1/20 0.45
ACHE P22303 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
AGXT P21549 2/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CTBP2 P56545 1/20 0.38
CHRM2 P08172 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL13932517 0.80 IDO1 (0.50) IDO1C3AR1ACHETDP1CYP1A2
SCHEMBL842160 0.80 C3AR1 (0.52) IDO1C3AR1ACHETDP1CYP1A2
SCHEMBL2090624 0.78 IDO1 (0.48) IDO1CYP2A6TAAR1AGXTLMNA
SCHEMBL4428184 0.78 TP53 (0.46) IDO1TDP1CYP1A2CYP2A6TAAR1
SCHEMBL24555454 0.76 IDO1 (0.46) IDO1C3AR1ACHETDP1CYP1A2
SCHEMBL13793209 0.76 IDO1 (0.46) IDO1C3AR1ACHETDP1CYP1A2
SCHEMBL8852156 0.76 TAAR1 (0.43) IDO1CYP2A6TAAR1ALDH1A1CYP19A1
SCHEMBL12228503 0.76 IDO1 (0.46) IDO1C3AR1ACHETDP1CYP1A2
SCHEMBL2996786 0.76 MIF (0.52) IDO1ACHETAAR1AGXTLMNA
SCHEMBL2270 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
US-9006225-B2 Stable pharmaceutical composition ASAHI KASEI PHARMA CORPORATION (JP) 2015-04-14 US disclosed
EP-2236135-A1 STABLE PHARMACEUTICAL COMPOSITION Asahi Kasei Pharma Corporation (JP) 2010-10-06 EP disclosed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-18 US disclosed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 WO disclosed
EP-0957135-B1 Water-soluble halotriazine-containing azo compounds, preparation thereof and use thereof as dyes DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-09-25 EP disclosed
US-6022956-A Water-soluble halotriazine-containing axo compounds, preparation thereof and use thereof as dyes DY STAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2000-02-08 US disclosed
EP-0957135-A1 Water-soluble halotriazine-containing azo compounds, preparation thereof and use thereof as dyes DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 1999-11-17 EP disclosed
US-5618814-A Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds DR. KARL THOMAE GMBH (DE) 1997-04-08 US disclosed
EP-0645390-A1 Trisubstituted pyrimido 5,4-d pyrimidines for modulating multidrug resistance, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1995-03-29 EP disclosed
US-5378689-A Hypotensive agents; administrable by mouth SANKYO COMPANY, LIMITED (JP) 1995-01-03 US disclosed
US-5378690-A Treatment of angiotensin induced hypertension SANKYO COMPANY, LIMITED (JP) 1995-01-03 US disclosed
EP-0274259-A2 New renin-inhibitory oligopeptides, their preparaton and their use Sankyo Company Limited (JP) 1988-07-13 EP 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 (4 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R IDO1 481/4885C3AR1 601/4885ACHE 3542/4885
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 IDO1 669/4885C3AR1 272/4885ACHE 3840/4885
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION SLC5A1, SLC5A2, SLC2A9 IDO1 4153/4885C3AR1 1922/4885ACHE 1976/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 IDO1 669/4885C3AR1 272/4885ACHE 3840/4885

“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.