SCHEMBL4990757

SCHEMBL4990757

COc1cccc(CN2CCc3c(ncnc3NC(=O)CC34CC5CC(CC(C5)C3)C4)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.47
PTPN1 P18031 1/20 0.46
MKNK1 Q9BUB5 1/20 0.42
EPHX2 P34913 4/20 0.42
P2RX3 P56373 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
CYP3A4 P08684 1/20 0.40
FAAH O00519 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
SCHEMBL5142350 0.92 P2RX7 (0.45) P2RX7EPHX2P2RX3TSHR
SCHEMBL4982819 0.91 LMNA (0.43) P2RX7PTPN1EPHX2GAAFAAH
SCHEMBL4993357 0.91 EPHX2 (0.46) P2RX7EPHX2
SCHEMBL4985490 0.90 P2RX7 (0.48) P2RX7EPHX2P2RX3TSHR
SCHEMBL4985261 0.90 EPHX2 (0.41) P2RX7PTPN1EPHX2
SCHEMBL14272479 0.90 TSHR (0.49) P2RX7PTPN1MKNK1EPHX2GAA
SCHEMBL4987990 0.90 P2RX7 (0.42) P2RX7MKNK1EPHX2TSHR
SCHEMBL5011770 0.89 P2RX7 (0.42) P2RX7MKNK1EPHX2GAATSHR
SCHEMBL4982878 0.88 P2RX7 (0.43) P2RX7TSHRFAAH
SCHEMBL4989721 0.88 MKNK1 (0.40) P2RX7MKNK1EPHX2TSHR

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 1/4885PTPN1 1020/4885MKNK1 1672/4885

“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.