SCHEMBL3310122

SCHEMBL3310122

COCCN1C(=O)CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
CYP11B1 P15538 6/20 0.46
CYP11B2 P19099 6/20 0.46
CYP1A2 P05177 3/20 0.46
BMPR1B O00238 2/20 0.45
BMPR1A P36894 2/20 0.45
TGFBR1 P36897 2/20 0.45
ACVRL1 P37023 2/20 0.45
ACVR1 Q04771 2/20 0.45
ATAD2 Q6PL18 1/20 0.43
KIF11 P52732 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
HDAC6 Q9UBN7 2/20 0.41
HDAC1 Q13547 1/20 0.41
CTSS P25774 1/20 0.39
TDP2 O95551 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 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
SCHEMBL13273166 0.86 CYP11B2 (0.60) BRD4CYP11B1CYP11B2CYP1A2BMPR1B
SCHEMBL3309660 0.84 KIF11 (0.45) BRD4CYP11B1CYP11B2CYP1A2BMPR1B
SCHEMBL3311164 0.81 S1PR1 (0.46) BRD4CYP11B1CYP11B2CYP1A2ATAD2
SCHEMBL3308314 0.80 CYP11B1 (0.42) BRD4CYP11B1CYP11B2CYP1A2ATAD2
SCHEMBL4892413 0.79 CYP11B1 (0.58) CYP11B1CYP11B2CYP1A2KIF11HRH3
SCHEMBL3307667 0.79 KIF11 (0.45) BRD4CYP11B1CYP11B2CYP1A2ATAD2
SCHEMBL14868039 0.79 BRD4 (0.43) BRD4CYP11B1CYP11B2CYP1A2ATAD2
SCHEMBL3309048 0.78 HRH3 (0.45) BRD4CYP11B1CYP11B2CYP1A2BMPR1B
SCHEMBL3306413 0.78 KIF11 (0.44) CYP11B1CYP11B2CYP1A2ATAD2KIF11
SCHEMBL13330272 0.78 HSP90AA1 (0.53) BRD4CYP11B1CYP11B2CYP1A2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 BRD4 289/4885CYP11B1 1655/4885CYP11B2 1716/4885
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E BRD4 326/4885CYP11B1 1355/4885CYP11B2 1629/4885

“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.