SCHEMBL1590692

SCHEMBL1590692

O=C(CCc1cccc(Cl)c1)Nc1cccc2c(=O)n(C(O)C3CCCCC3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.42
EPHX2 P34913 1/20 0.42
KCNQ2 O43526 3/20 0.41
F2 P00734 2/20 0.40
TSHR P16473 1/20 0.39
FSHR P23945 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL1590762 0.91 TRPV1 (0.46) P2RX7NPC1TRPV1
SCHEMBL1590386 0.90 P2RX7 (0.42) P2RX7KCNQ2NPC1
SCHEMBL1591395 0.87 ALDH1A1 (0.47) P2RX7KCNQ2
SCHEMBL1589719 0.85 TP53 (0.44) P2RX7KCNQ2NPC1
SCHEMBL1591459 0.85 HCAR2 (0.49) NPC1MAPTHPGD
SCHEMBL1590251 0.85 EPHX2 (0.47) P2RX7EPHX2NPC1HPGD
SCHEMBL1590881 0.83 P2RX7 (0.44) P2RX7NPC1MAPTHPGD
SCHEMBL1590635 0.81 P2RX7 (0.43) P2RX7MAPTHPGD
SCHEMBL1591014 0.81 P2RX7 (0.41) P2RX7MAPTTHRB
SCHEMBL1590468 0.80 KCNQ2 (0.48) P2RX7KCNQ2NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US claimed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US claimed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885EPHX2 569/4885KCNQ2 519/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885EPHX2 569/4885KCNQ2 519/4885

“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.