SCHEMBL2298642

SCHEMBL2298642

Fc1ccc(CC2CC[N]CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.43
RPS6KB1 P23443 1/20 0.42
GRIN2B Q13224 2/20 0.41
GMNN O75496 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.41
GRIN1 Q05586 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TRPA1 O75762 1/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL3634313 0.85 EPHX2 (0.48) STAT3GRIN2BGMNNTP53CYP3A4
SCHEMBL652510 0.81 TRPA1 (0.51) GRIN2BGMNNTP53CYP3A4ALOX15
SCHEMBL2090678 0.80 SLC6A2 (0.41) RPS6KB1
SCHEMBL3130172 0.80 ALDH1A1 (0.51) RPS6KB1GRIN2BGMNNTP53CYP3A4
SCHEMBL2092384 0.79 RPS6KB1 (0.47) RPS6KB1
SCHEMBL2301471 0.79 CNR1 (0.47)
SCHEMBL42600 0.79 GBA1 (0.59) GRIN2BTSHR
SCHEMBL2296965 0.79 GRIN2B (0.40) STAT3GRIN2BTRPA1
SCHEMBL2370080 0.79 POLB (0.51) TRPA1
SCHEMBL14394798 0.79 POLB (0.51) TRPA1

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 29 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-20030050310-A1 Hydroxamic acid derivatives as proteinase inhibitors BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2003-03-13 US claimed
US-6479502-B1 TREATMENT OF DISEASES AND CONDITIONS RESPONSIVE TO MODULATION OF MATRIX METALLOPROTEINASE ACTIVITY BRITISH BIOTECH PHARMACEUTICALS (GB) 2002-11-12 US claimed
EP-1107953-A1 HYDROXAMIC ACID DERIVATIVES AS PROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-06-20 EP claimed
WO-2000012477-A1 HYDROXAMIC ACID DERIVATIVES AS PROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-03-09 WO claimed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 WO disclosed
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions UCB PHARMA, S.A. (BE) 2010-02-11 US disclosed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
EP-2066645-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB Pharma S.A. (BE) 2009-06-10 EP disclosed
WO-2003010159-A1 PIPERIDINE DERIVATIVES AS NMDA RECEPTOR ANTAGONISTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 2003-02-06 WO disclosed
US-6479502-B1 TREATMENT OF DISEASES AND CONDITIONS RESPONSIVE TO MODULATION OF MATRIX METALLOPROTEINASE ACTIVITY BRITISH BIOTECH PHARMACEUTICALS (GB) 2002-11-12 US disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP disclosed
EP-1107953-A1 HYDROXAMIC ACID DERIVATIVES AS PROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-06-20 EP disclosed
WO-2000012477-A1 HYDROXAMIC ACID DERIVATIVES AS PROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-03-09 WO disclosed
US-5688820-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ADIR ET COMPAGNIE (FR) 1997-11-18 US 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 (5 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 STAT3 579/4885RPS6KB1 1220/4885GRIN2B 505/4885
US-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions HRH4, HRH2, HRH3 STAT3 2509/4885RPS6KB1 1277/4885GRIN2B 236/4885
US-20030050310-A1 Hydroxamic acid derivatives as proteinase inhibitors MMP2, CTSH, TIMP3 STAT3 1541/4885RPS6KB1 2060/4885GRIN2B 1961/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A STAT3 1783/4885RPS6KB1 2047/4885GRIN2B 158/4885
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I STAT3 4306/4885RPS6KB1 2674/4885GRIN2B 183/4885

“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.