SCHEMBL3309010

SCHEMBL3309010

O=C1CCc2cc(-c3ccc(F)c(F)c3)ccc2N1CCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.44
CYP11B2 P19099 4/20 0.44
CYP1A2 P05177 3/20 0.44
CHRM1 P11229 7/20 0.43
BMPR1B O00238 2/20 0.43
BMPR1A P36894 2/20 0.43
TGFBR1 P36897 2/20 0.43
ACVRL1 P37023 2/20 0.43
ACVR1 Q04771 2/20 0.43
HRH3 Q9Y5N1 1/20 0.41
ATAD2 Q6PL18 1/20 0.41
PDE5A O76074 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HSD17B1 P14061 1/20 0.38
CHRM2 P08172 1/20 0.37

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
SCHEMBL3310060 0.83 CYP11B1 (0.44) CYP11B1CYP11B2CYP1A2CHRM1HRH3
SCHEMBL3309660 0.83 KIF11 (0.45) CYP11B1CYP11B2CYP1A2CHRM1BMPR1B
SCHEMBL3312986 0.83 HRH3 (0.47) CYP11B1CYP11B2CYP1A2CHRM1BMPR1B
SCHEMBL3307704 0.79 MAPT (0.53) CYP11B1CYP11B2CYP1A2BMPR1BBMPR1A
SCHEMBL3599798 0.76 ATAD2 (0.46) CYP11B1CYP11B2CYP1A2CHRM1BMPR1B
SCHEMBL3599801 0.76 ATAD2 (0.68) CYP11B1CYP11B2CYP1A2CHRM1ATAD2
SCHEMBL13386729 0.74 ATAD2 (0.47) CYP11B1CYP11B2CYP1A2CHRM1BMPR1B
SCHEMBL3304919 0.73 CYP1A2 (0.41) CYP11B1CYP11B2CYP1A2CHRM1ATAD2
SCHEMBL3310040 0.73 HDAC1 (0.43) CYP11B1CYP11B2CYP1A2HDAC6HDAC1
SCHEMBL14277003 0.72 POLB (0.61) CHRM1CHRM2CHRM4CHRM5DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952007-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US claimed
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-18 US claimed
WO-2010074807-A1 3, 4-DIHYDROQUINOLIN-2 ( 1H ) -ONE DERIVATIVES AS SODIUM CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-07-01 WO claimed
US-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed
US-8952007-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-02-10 US disclosed
US-8664379-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-03-04 US disclosed
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-04-18 US disclosed
WO-2010074807-A1 3, 4-DIHYDROQUINOLIN-2 ( 1H ) -ONE DERIVATIVES AS SODIUM CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-07-01 WO disclosed
US-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-05-06 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 (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-20100113514-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNH3 CYP11B1 1655/4885CYP11B2 1716/4885CYP1A2 2073/4885
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E CYP11B1 1355/4885CYP11B2 1629/4885CYP1A2 1928/4885

“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.