SCHEMBL3308443

SCHEMBL3308443

O=C(O)CN1C(=O)CCc2cc(-c3ccc(OC(F)(F)F)cc3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
S1PR1 P21453 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
DHODH Q02127 1/20 0.41
CHRM5 P08912 3/20 0.40
CYP11B1 P15538 2/20 0.40
RIPK1 Q13546 2/20 0.40
AURKA O14965 1/20 0.40
TPX2 Q9ULW0 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP11B2 P19099 1/20 0.40
MET P08581 1/20 0.39
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
SLC13A5 Q86YT5 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
SCHEMBL3308243 0.90 MAPT (0.52) MAPTHRH3DHODHCHRM5CYP11B1
SCHEMBL3309131 0.90 MAPT (0.58) MAPTS1PR1HRH3DHODHCHRM5
SCHEMBL12674687 0.90 MAPT (0.48) MAPTS1PR1HRH3DHODHCHRM5
SCHEMBL3306413 0.86 KIF11 (0.44) MAPTS1PR1HRH3CYP11B1CYP1A2
SCHEMBL3307704 0.85 MAPT (0.53) MAPTS1PR1HRH3DHODHCHRM5
SCHEMBL3306023 0.84 MEN1 (0.45) MAPTCYP11B1CYP1A2CYP11B2MET
SCHEMBL3309801 0.83 CYP11B1 (0.44) MAPTCYP11B1CYP1A2CYP11B2MET
SCHEMBL3310423 0.82 MAPT (0.50) MAPTS1PR1HRH3CHRM5CYP11B1
SCHEMBL14865932 0.81 HTT (0.48) MAPTCYP11B1CYP1A2CYP11B2MET
SCHEMBL3302747 0.81 HDAC1 (0.49) CYP11B1CYP1A2CYP11B2MET

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 8 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
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 3423/4885S1PR1 679/4885HRH3 356/4885
US-20130096122-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E MAPT 3659/4885S1PR1 612/4885HRH3 410/4885

“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.