SCHEMBL4984836

SCHEMBL4984836

COc1ccc(CN2CCc3c(ncnc3NC(=O)CC34CC5CC(CC(C5)C3)C4)C2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.41
EPHX2 P34913 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GALR3 O60755 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MCHR1 Q99705 1/20 0.37

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
SCHEMBL4992539 0.94 EPHX2 (0.43) P2RX7EPHX2MEN1KMT2ATSHR
SCHEMBL4982878 0.93 P2RX7 (0.43) P2RX7MEN1KMT2ARAB9ATP53
SCHEMBL4988536 0.92 P2RX7 (0.44) P2RX7MEN1KMT2ATSHR
SCHEMBL5142941 0.91 P2RX7 (0.45) P2RX7EPHX2MEN1KMT2ATSHR
SCHEMBL4980553 0.90 EPHX2 (0.41) P2RX7EPHX2MEN1KMT2ATP53
SCHEMBL4993442 0.90 KDM4E (0.43) P2RX7MEN1KMT2AMAPTTSHR
SCHEMBL4988908 0.90 TSHR (0.41) P2RX7EPHX2MAPTTSHR
SCHEMBL4992530 0.88 P2RX7 (0.44) P2RX7EPHX2MEN1KMT2A
SCHEMBL4983017 0.88 TSHR (0.41) P2RX7EPHX2TSHR
SCHEMBL4992332 0.88 P2RX7 (0.41) P2RX7EPHX2MAPTTSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
EP-1860942-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2007-12-05 EP claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed
WO-2006102610-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2006-09-28 WO claimed
US-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction RENOVIS, INC. 2006-09-28 US claimed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 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 (2 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-20060217448-A1 e.g. 4-benzyl-N-[2-(2-chlorophenyl)ethyl]-4,7,9-triazabicyclo[4.4.0]deca-7,9,11-triene-10-carboxamide; antiinflammatory and analgesic agent; rheumatoid arthritis, osteoarthritis, Parkinson's disease, uveitis, asthma, cardiovascular conditions, myocardial infarction PARK7, UACA, PTGER4 P2RX7 1619/4885EPHX2 437/4885MEN1 4084/4885
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885EPHX2 569/4885MEN1 4853/4885

“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.