SCHEMBL3867744

SCHEMBL3867744

CCCCOc1ccc(C(=O)NCCc2ccc(CN3CCCC3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
MCHR1 Q99705 5/20 0.64
CYP2D6 P10635 1/20 0.64
CHRM1 P11229 1/20 0.64
HTR2A P28223 1/20 0.64
TSHR P16473 1/20 0.63
KDM4E B2RXH2 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
MAPT P10636 1/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
HRH3 Q9Y5N1 5/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
GLA P06280 1/20 0.57

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
SCHEMBL6704283 0.90 MCHR1 (0.70) NPC1RAB9AKMT2AMCHR1CYP2D6
SCHEMBL3870582 0.89 MCHR1 (0.69) KMT2AMCHR1CYP2D6CHRM1HTR2A
SCHEMBL3879399 0.88 MCHR1 (0.60) NPC1RAB9AMEN1KMT2AMCHR1
SCHEMBL6705925 0.87 MCHR1 (0.61) NPC1RAB9AMEN1KMT2AMCHR1
SCHEMBL3870553 0.87 MCHR1 (0.61) NPC1RAB9AMEN1KMT2AMCHR1
SCHEMBL3874996 0.87 MCHR1 (0.61) NPC1RAB9AMEN1KMT2AMCHR1
SCHEMBL3868263 0.86 MCHR1 (0.60) NPC1MEN1KMT2AMCHR1CYP2D6
SCHEMBL3879860 0.86 MCHR1 (0.62) MCHR1CYP2D6CHRM1HTR2ATSHR
SCHEMBL3868882 0.85 MCHR1 (0.61) MEN1KMT2AMCHR1CYP2D6CHRM1
SCHEMBL3871958 0.85 MCHR1 (0.61) MEN1KMT2AMCHR1CYP2D6CHRM1

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-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 (1 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 NPC1 2114/4885RAB9A 1092/4885MEN1 298/4885

“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.