SCHEMBL4987092

SCHEMBL4987092

O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CCN(C(=O)Cc1ccc(F)cc1)C2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX12 P18054 1/20 0.42
P2RX7 Q99572 4/20 0.38
EPHX2 P34913 2/20 0.37
ALOX5 P09917 1/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
CYP2C19 P33261 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
SCHEMBL4988732 0.91 P2RX7 (0.47) TSHRALDH1A1ALOX12P2RX7MEN1
SCHEMBL4988064 0.91 ALDH1A1 (0.47) TSHRALDH1A1ALOX12P2RX7MEN1
SCHEMBL14272291 0.89 TSHR (0.54) TSHRALDH1A1P2RX7EPHX2ALOX5
SCHEMBL4992054 0.89 P2RX7 (0.46) TSHRALDH1A1ALOX12P2RX7MEN1
SCHEMBL13532457 0.88 EPHX2 (0.40) TSHRALDH1A1ALOX12EPHX2ALOX5
SCHEMBL4982846 0.88 GRM5 (0.41) TSHRALDH1A1ALOX12P2RX7EPHX2
SCHEMBL4982679 0.86 TSHR (0.43) TSHRALDH1A1P2RX7EPHX2ALOX5
SCHEMBL4988062 0.85 ALDH1A1 (0.42) TSHRALDH1A1ALOX12P2RX7MEN1
SCHEMBL4985425 0.85 TSHR (0.44) TSHRALDH1A1ALOX12P2RX7MEN1
SCHEMBL4990489 0.83 TSHR (0.41) TSHRP2RX7EPHX2MEN1USP2

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
EP-1860942-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2007-12-05 EP claimed
WO-2006102610-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2006-09-28 WO claimed
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 TSHR 3850/4885ALDH1A1 3640/4885ALOX12 339/4885

“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.