SCHEMBL2899159

SCHEMBL2899159

CN(C)c1ccc2cc(C(=O)Nc3ccc(N4CCC4)nc3)n(Cc3cccc(F)c3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
F10 P00742 1/20 0.40
ORAI1 Q96D31 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAOB P27338 1/20 0.39
WNT3A P56704 2/20 0.39
RPS6KA2 Q15349 1/20 0.39
SCD O00767 1/20 0.38
SCD5 Q86SK9 1/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
DYRK1A Q13627 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
SCHEMBL2899821 0.92 KCNQ3 (0.47) DGAT1KCNQ3KCNQ2NPC1RAB9A
SCHEMBL2898096 0.90 DGAT1 (0.45) DGAT1KCNQ3KCNQ2NPC1RAB9A
SCHEMBL2891250 0.89 DGAT1 (0.45) DGAT1KCNQ3KCNQ2NPC1RAB9A
SCHEMBL940314 0.88 DGAT1 (0.44) DGAT1KCNQ3KCNQ2NPC1RAB9A
SCHEMBL2900449 0.88 DGAT1 (0.44) DGAT1KCNQ3KCNQ2NPC1RAB9A
SCHEMBL2892427 0.88 KCNQ3 (0.46) DGAT1KCNQ3KCNQ2NPC1RAB9A
SCHEMBL2903260 0.88 DGAT1 (0.51) DGAT1KCNQ3KCNQ2F10NPC1
SCHEMBL2897315 0.88 DGAT1 (0.43) DGAT1KCNQ3KCNQ2NPC1RAB9A
SCHEMBL2900996 0.88 TRPV1 (0.45) DGAT1KCNQ3KCNQ2NPC1RAB9A
SCHEMBL2894989 0.87 KCNQ3 (0.47) DGAT1KCNQ3KCNQ2F10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586573-B2 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI (FR) 2013-11-19 US disclosed
US-20100286119-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2010-11-11 US disclosed
US-7786104-B2 N-(aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2010-08-31 US disclosed
EP-2049525-B1 N-(AMINOHETEROARYL)-1H-INDOLE-2-CARBOXAMIDE DERIVATIVES, AND PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI AVENTIS (FR) 2009-12-30 EP disclosed
US-20090156573-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof SANOFI-AVENTIS (FR) 2009-06-18 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-20100286119-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof IDO1, IDO2, TPH1 DGAT1 4048/4885GRIN1 155/4885GRIN2B 242/4885
US-20090156573-A1 N-(Aminoheteroaryl)-1H-indole-2-carboxamide derivatives, and preparation and therapeutic application thereof IDO1, IDO2, TPH1 DGAT1 4048/4885GRIN1 155/4885GRIN2B 242/4885

“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.