SCHEMBL3310037

SCHEMBL3310037

N#Cc1cccc(-c2ccc3c(c2)CCC(=O)N3)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 3/20 0.58
▸ CYP11B2 P19099 3/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ CYP2C9 P11712 2/20 0.58
▸ TBXAS1 P24557 1/20 0.58
▸ PDE3B Q13370 1/20 0.58
▸ PDE3A Q14432 1/20 0.58
▸ KIF11 P52732 1/20 0.55
▸ OTUD7B Q6GQQ9 3/20 0.54
▸ PGR P06401 8/20 0.53
▸ CHEK1 O14757 1/20 0.50
▸ CREBBP Q92793 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2B6 P20813 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3306017 0.87 KIF11 (0.62) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL2015376 0.84 NPC1 (0.50) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL30100790 0.84 NPC1 (0.50) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL3306566 0.81 KIF11 (0.69) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL29533407 0.78 CYP11B1 (0.62) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL3309677 0.78 KIF11 (0.62) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL13525229 0.78 CYP11B1 (0.62) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL3307911 0.78 KIF11 (0.58) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL4596356 0.77 KIF11 (0.57) CYP11B1CYP11B2CYP1A2CYP2C9TBXAS1
SCHEMBL4423216 0.75 PGR (0.56) CYP11B1CYP11B2CYP1A2PGRCHEK1

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.

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