SCHEMBL4990796

SCHEMBL4990796

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(Cc1ccc(F)cc1Cl)C2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.41
POLB P06746 1/20 0.39
NR4A1 P22736 1/20 0.39
ALDH1A1 P00352 2/20 0.38
IDE P14735 1/20 0.38
COMT P21964 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TRPC5 Q9UL62 1/20 0.36
EPHX2 P34913 1/20 0.36
CXCR3 P49682 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL4982800 0.93 P2RX7 (0.44) P2RX7POLBNR4A1ALDH1A1TSHR
SCHEMBL4988694 0.92 EPHX2 (0.39) P2RX7TSHREPHX2CXCR3
SCHEMBL4985453 0.89 CXCR3 (0.47) P2RX7TSHREPHX2CXCR3
SCHEMBL4985272 0.89 AR (0.39) P2RX7TSHRTRPC5EPHX2
SCHEMBL4988478 0.88 P2RX7 (0.50) P2RX7POLBNR4A1ALDH1A1TSHR
SCHEMBL4982679 0.88 TSHR (0.43) P2RX7ALDH1A1TSHRSMN1; SMN2EPHX2
SCHEMBL4992530 0.87 P2RX7 (0.44) P2RX7ALDH1A1TRPC5EPHX2MEN1
SCHEMBL4987754 0.87 AR (0.39) P2RX7TSHRTRPC5EPHX2
SCHEMBL4988125 0.85 EPHX2 (0.41) P2RX7POLBNR4A1ALDH1A1TSHR
SCHEMBL4992332 0.85 P2RX7 (0.41) P2RX7POLBNR4A1ALDH1A1TSHR

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 1/4885POLB 3676/4885NR4A1 226/4885

“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.