SCHEMBL3321168

SCHEMBL3321168

Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)N1CCC(c2ccc(C(N)=O)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 5/20 0.55
FABP3 P05413 4/20 0.55
FABP5 Q01469 4/20 0.49
SPR P35270 2/20 0.48
KDM4E B2RXH2 2/20 0.46
PLA2G2A P14555 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
AVPR1A P37288 1/20 0.44
FASN P49327 2/20 0.44
PARP14 Q460N5 1/20 0.44
PARP10 Q53GL7 1/20 0.44
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PRNP P04156 1/20 0.41
PPARG P37231 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL3322283 0.81 FABP4 (0.69) FABP4FABP3FABP5KDM4EPLA2G2A
SCHEMBL13363406 0.77 PARP10 (0.40) SPRFASNPARP14PARP10CCR1
SCHEMBL21083000 0.73 FABP4 (1.00) FABP4FABP3FABP5KDM4EPLA2G2A
SCHEMBL2820951 0.72 FABP4 (0.82) FABP4FABP3FABP5KDM4EPLA2G2A
SCHEMBL3319814 0.69 FABP4 (0.65) FABP4FABP3FABP5KDM4EPLA2G2A
SCHEMBL6969338 0.68 MGLL (0.48) FABP4FABP5AVPR1ACNR1CNR2
SCHEMBL3322903 0.67 FABP4 (0.73) FABP4FABP3FABP5KDM4EPLA2G2A
SCHEMBL3900559 0.67 AVPR1A (0.61) SPRAVPR1APARP14PARP10CNR1
SCHEMBL14916776 0.67 FABP4 (1.00) FABP4FABP3FABP5KDM4EPLA2G2A
SCHEMBL3321673 0.67 FABP4 (0.61) FABP4FABP3FABP5KDM4EPLA2G2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8865739-B2 Substituted heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-10-21 US claimed
US-20140107155-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-04-17 US claimed
US-8664399-B2 Substituted heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-03-04 US claimed
US-20130102632-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-25 US claimed
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 US claimed
WO-2010056865-A1 QUINOLINE DERIVATIVES AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 WO claimed
US-8865739-B2 Substituted heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-10-21 US disclosed
US-8865739-B2 Substituted heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-10-21 US disclosed
US-8865739-B2 Substituted heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-10-21 US disclosed
US-20140107155-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-04-17 US disclosed
US-20140107155-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-04-17 US disclosed
US-20140107155-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2014-04-17 US disclosed
US-8664399-B2 Substituted heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-03-04 US disclosed
US-20130102632-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-25 US disclosed
US-20130102632-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-25 US disclosed
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 US disclosed
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 US disclosed
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 US disclosed
WO-2010056865-A1 QUINOLINE DERIVATIVES AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 WO disclosed
WO-2010056865-A1 QUINOLINE DERIVATIVES AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-20 WO 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 (3 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-20140107155-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E FABP4 3868/4885FABP3 1216/4885FABP5 3822/4885
US-20100125091-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E FABP4 3868/4885FABP3 1216/4885FABP5 3822/4885
US-20130102632-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNH2, KCNJ2, CACNA1E FABP4 3868/4885FABP3 1216/4885FABP5 3822/4885

“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.