SCHEMBL4985453

SCHEMBL4985453

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(Cc1ccc(Cl)cc1F)C2

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 7/20 0.47
P2RX7 Q99572 5/20 0.43
EPHX2 P34913 1/20 0.40
GRM2 Q14416 2/20 0.38
TSHR P16473 1/20 0.38
MKNK1 Q9BUB5 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
SCHEMBL4988694 0.93 EPHX2 (0.39) CXCR3P2RX7EPHX2GRM2TSHR
SCHEMBL4982800 0.92 P2RX7 (0.44) CXCR3P2RX7TSHR
SCHEMBL4985205 0.90 EPHX2 (0.37) CXCR3P2RX7EPHX2GRM2TSHR
SCHEMBL4990796 0.89 P2RX7 (0.41) CXCR3P2RX7EPHX2TSHR
SCHEMBL4985443 0.89 P2RX7 (0.42) P2RX7EPHX2TSHR
SCHEMBL14272551 0.89 TSHR (0.51) CXCR3EPHX2GRM2TSHRMKNK1
SCHEMBL4988633 0.89 P2RX7 (0.47) CXCR3P2RX7EPHX2GRM2
SCHEMBL4988113 0.88 P2RX7 (0.50) CXCR3P2RX7TSHR
SCHEMBL4988125 0.88 EPHX2 (0.41) CXCR3P2RX7EPHX2GRM2TSHR
SCHEMBL4980553 0.87 EPHX2 (0.41) P2RX7EPHX2GRM2TSHR

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 CXCR3 63/4885P2RX7 1/4885EPHX2 569/4885

“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.