SCHEMBL4982878

SCHEMBL4982878

COc1ccc(CN2CCc3c(ncnc3NC(=O)CC34CC5CC(CC(C5)C3)C4)C2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.43
TSHR P16473 1/20 0.39
EGFR P00533 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FAAH O00519 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ACHE P22303 1/20 0.37
SIGMAR1 Q99720 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
SCHEMBL4993442 0.94 KDM4E (0.43) P2RX7TSHRKMT2AMEN1ALDH1A1
SCHEMBL4988536 0.94 P2RX7 (0.44) P2RX7TSHREGFRKMT2AMEN1
SCHEMBL4984836 0.93 P2RX7 (0.41) P2RX7TSHRKMT2AMEN1TP53
SCHEMBL4992539 0.93 EPHX2 (0.43) P2RX7TSHRKMT2AMEN1
SCHEMBL5142941 0.93 P2RX7 (0.45) P2RX7TSHREGFRKMT2AMEN1
SCHEMBL14272462 0.90 TSHR (0.51) P2RX7TSHREGFRKMT2AMEN1
SCHEMBL4985490 0.89 P2RX7 (0.48) P2RX7TSHRKMT2AMEN1ALDH1A1
SCHEMBL4990757 0.88 P2RX7 (0.47) P2RX7TSHRFAAH
SCHEMBL5142350 0.88 P2RX7 (0.45) P2RX7TSHRKMT2AMEN1ALDH1A1
SCHEMBL4988062 0.87 ALDH1A1 (0.42) P2RX7TSHRKMT2AMEN1ALDH1A1

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 4 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
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US disclosed
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 (1 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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885TSHR 3850/4885EGFR 4721/4885

“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.