SCHEMBL3307704

SCHEMBL3307704

O=C1CCc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2N1CCO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
HRH3 Q9Y5N1 2/20 0.46
BRD4 O60885 1/20 0.42
CYP11B1 P15538 4/20 0.41
CYP11B2 P19099 3/20 0.41
CYP1A2 P05177 2/20 0.41
S1PR1 P21453 1/20 0.39
BMPR1B O00238 1/20 0.39
BMPR1A P36894 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 1/20 0.39
MCHR1 Q99705 1/20 0.39
CHRM5 P08912 5/20 0.39
RIPK1 Q13546 1/20 0.39
DHODH Q02127 1/20 0.38
ATAD2 Q6PL18 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 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
SCHEMBL3309660 0.85 KIF11 (0.45) MAPTHRH3BRD4CYP11B1CYP11B2
SCHEMBL3308443 0.85 MAPT (0.59) MAPTHRH3CYP11B1CYP11B2CYP1A2
SCHEMBL3309131 0.84 MAPT (0.58) MAPTHRH3BRD4CYP11B1CYP11B2
SCHEMBL3310423 0.83 MAPT (0.50) MAPTHRH3BRD4CYP11B1CYP11B2
SCHEMBL3309010 0.79 CYP11B1 (0.44) HRH3CYP11B1CYP11B2CYP1A2BMPR1B
SCHEMBL3315683 0.77 CYP11B1 (0.54) MAPTCYP11B1CYP11B2CYP1A2CHRM5
SCHEMBL3308796 0.77 HDAC6 (0.46) MAPTHRH3BRD4CYP11B1CYP11B2
SCHEMBL22314992 0.76 BMPR1B (0.42) MAPTHRH3BRD4S1PR1BMPR1B
SCHEMBL3308243 0.76 MAPT (0.52) MAPTHRH3CYP11B1CYP11B2CYP1A2
SCHEMBL29924232 0.75 HRH3 (0.49) HRH3BRD4

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-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
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 MAPT 3423/4885HRH3 356/4885BRD4 289/4885
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E MAPT 3659/4885HRH3 410/4885BRD4 326/4885

“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.