SCHEMBL1543331

SCHEMBL1543331

COc1ccc(-c2ccc(C(=O)NCCc3ccc(CN4CCCC4)cc3)cn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
MCHR1 Q99705 12/20 0.61
CHRM1 P11229 4/20 0.59
HTR2A P28223 4/20 0.59
CYP2D6 P10635 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.56
POLB P06746 1/20 0.52
RAB9A P51151 1/20 0.52
HDAC1 Q13547 1/20 0.50
TSHR P16473 1/20 0.49

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
SCHEMBL3876341 0.88 KDM4E (0.76) KDM4EKMT2AMEN1MCHR1CHRM1
SCHEMBL1543277 0.87 MCHR1 (0.77) MCHR1CHRM1HTR2ACYP2D6
SCHEMBL6705751 0.85 MCHR1 (0.65) KDM4EMCHR1CHRM1HTR2ACYP2D6
SCHEMBL2926587 0.80 MCHR1 (0.84) KDM4EKMT2AMCHR1SMN1; SMN2RAB9A
SCHEMBL2926947 0.80 MCHR1 (0.82) KDM4EKMT2AMCHR1SMN1; SMN2RAB9A
SCHEMBL6224669 0.77 MCHR1 (0.71) KDM4EMCHR1CHRM1HTR2ACYP2D6
SCHEMBL3867744 0.77 NPC1 (0.67) KDM4EKMT2AMEN1MCHR1CHRM1
SCHEMBL5645871 0.76 MCHR1 (1.00) MCHR1
SCHEMBL3875743 0.76 MCHR1 (0.80) KDM4EMCHR1CHRM1HTR2ACYP2D6
SCHEMBL6705708 0.76 MCHR1 (0.61) KDM4EKMT2AMEN1MCHR1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US claimed
JP-2011524894-A 2011-09-08 JP claimed
EP-2307378-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP claimed
WO-2009153721-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO claimed
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 US disclosed
EP-2307378-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP disclosed
WO-2009153721-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO disclosed
US-7601868-B2 Such as 4-(cyclopropylmethoxy)-N-(2-{4-[1-(1-pyrrolidinyl)ethyl]phenyl}ethyl)benzamide having melanin-concentrating hormone antagonistic action, for prophylaxis and/or treatment of obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-13 US disclosed
US-7601868-B2 Such as 4-(cyclopropylmethoxy)-N-(2-{4-[1-(1-pyrrolidinyl)ethyl]phenyl}ethyl)benzamide having melanin-concentrating hormone antagonistic action, for prophylaxis and/or treatment of obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-13 US disclosed
US-7601868-B2 Such as 4-(cyclopropylmethoxy)-N-(2-{4-[1-(1-pyrrolidinyl)ethyl]phenyl}ethyl)benzamide having melanin-concentrating hormone antagonistic action, for prophylaxis and/or treatment of obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-13 US disclosed
US-20060128690-A1 Amine derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-15 US disclosed
EP-1593667-A1 AMINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2005-11-09 EP 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-20060128690-A1 Amine derivative MC1R, MC2R, MC4R KDM4E 1415/4885KMT2A 1130/4885MEN1 298/4885
US-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 KDM4E 3753/4885KMT2A 3206/4885MEN1 2257/4885

“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.