SCHEMBL4988694

SCHEMBL4988694

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
CXCR3 P49682 1/20 0.39
TSHR P16473 1/20 0.39
GPR6 P46095 5/20 0.37
P2RX7 Q99572 4/20 0.36
GRM2 Q14416 1/20 0.36

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
SCHEMBL4985453 0.93 CXCR3 (0.47) EPHX2CXCR3TSHRP2RX7GRM2
SCHEMBL4990796 0.92 P2RX7 (0.41) EPHX2CXCR3TSHRP2RX7
SCHEMBL4985205 0.90 EPHX2 (0.37) EPHX2CXCR3TSHRP2RX7GRM2
SCHEMBL4985272 0.90 AR (0.39) EPHX2TSHRP2RX7GRM2
SCHEMBL4985443 0.90 P2RX7 (0.42) EPHX2TSHRP2RX7
SCHEMBL4988633 0.90 P2RX7 (0.47) EPHX2CXCR3P2RX7GRM2
SCHEMBL5144590 0.89 GPR6 (0.35) GPR6GRM2
SCHEMBL14272514 0.89 TSHR (0.52) EPHX2CXCR3TSHRGPR6GRM2
SCHEMBL4987754 0.89 AR (0.39) EPHX2TSHRP2RX7GRM2
SCHEMBL4992530 0.89 P2RX7 (0.44) EPHX2P2RX7GRM2

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 EPHX2 569/4885CXCR3 63/4885TSHR 3850/4885

“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.