SCHEMBL13718416

SCHEMBL13718416

O=C(NC1CCCC1)N1CCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.59
▸ GPR142 Q7Z601 2/20 0.45
▸ CCR2 P41597 4/20 0.45
▸ TRPV1 Q8NER1 2/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ NAMPT P43490 3/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ MOGAT2 Q3SYC2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL13717559 0.96 POLB (0.52) POLBGPR142CCR2ESR1ESR2
SCHEMBL31566056 0.86 POLB (0.56) POLBCCR2CNR1CNR2NAMPT
SCHEMBL31566060 0.82 POLB (0.49) POLBCCR2ESR1ESR2
SCHEMBL13718336 0.80 ESR1 (0.52) GPR142CCR2ESR1ESR2
SCHEMBL13717278 0.79 ESR1 (0.49) GPR142CCR2ESR1ESR2
SCHEMBL13717597 0.79 ESR1 (0.49) GPR142CCR2ESR1ESR2
SCHEMBL13717782 0.79 RAB9A (0.62) GPR142TRPV1NAMPTALDH1A1LMNA
SCHEMBL13718177 0.78 ESR1 (0.45) GPR142CCR2ESR1ESR2
SCHEMBL13718240 0.78 ESR1 (0.45) GPR142CCR2ESR1ESR2
SCHEMBL19808771 0.78 ESR1 (0.45) GPR142CCR2ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3275870-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-02-05 — — EP claimed
EP-3275870-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2018-01-31 — — EP claimed
EP-2707361-A1 FUSED HETEROCYCLIC COMPOUNDS AS SODIUM CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2014-03-19 — — EP claimed
WO-2012154760-A1 FUSED HETEROCYCLIC COMPOUNDS AS SODIUM CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2012-11-15 — — WO claimed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 — — US claimed
EP-3275870-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-02-05 — — EP disclosed
EP-3275870-B1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES INC (US) 2020-02-05 — — EP disclosed
EP-3275870-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2018-01-31 — — EP disclosed
EP-3275870-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2018-01-31 — — EP disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 — — US disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 — — US disclosed
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 — — US disclosed
US-20140329755-A1 COMBINATION THERAPY FOR THE TREATMENT OF ARRHYTHMIAS OR HEART FAILURE GILEAD SCIENCES, INC. (US) 2014-11-06 — — US disclosed
WO-2014179492-A1 COMBINATION THERAPY FOR THE TREATMENT OF ARRHYTHMIAS OR HEART FAILURE GILEAD SCIENCES, INC. (US) 2014-11-06 — — WO disclosed
EP-2707361-A1 FUSED HETEROCYCLIC COMPOUNDS AS SODIUM CHANNEL MODULATORS Gilead Sciences, Inc. (US) 2014-03-19 — — EP disclosed
WO-2012154760-A1 FUSED HETEROCYCLIC COMPOUNDS AS SODIUM CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2012-11-15 — — WO disclosed
WO-2012154760-A1 FUSED HETEROCYCLIC COMPOUNDS AS SODIUM CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2012-11-15 — — WO disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 — — US disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 — — US disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 — — 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-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 POLB 4763/4885GPR142 1139/4885CCR2 2899/4885
US-20140329755-A1 COMBINATION THERAPY FOR THE TREATMENT OF ARRHYTHMIAS OR HEART FAILURE CAMKK2, CAMK4, CAMK1 POLB 3771/4885GPR142 3369/4885CCR2 4670/4885

“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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