SCHEMBL3867697

SCHEMBL3867697

CC1CCCN1Cc1ccc(CCNC(=O)c2ccc(OCC3CC3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.57
HRH3 Q9Y5N1 3/20 0.53
NPC1 O15118 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC1 Q13547 1/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 2/20 0.46
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
HTR2A P28223 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44

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
SCHEMBL3870981 0.90 HRH3 (0.52) MCHR1HRH3NPC1SMN1; SMN2KDM4E
SCHEMBL3879449 0.88 NPC1 (0.54) MCHR1HRH3NPC1SMN1; SMN2KDM4E
SCHEMBL3869873 0.87 HRH3 (0.52) MCHR1HRH3NPC1SMN1; SMN2KDM4E
SCHEMBL3874012 0.87 HRH3 (0.61) HRH3NPC1SMN1; SMN2MEN1KMT2A
SCHEMBL3879784 0.86 HRH3 (0.51) MCHR1HRH3NPC1SMN1; SMN2KDM4E
SCHEMBL3881263 0.85 MCHR1 (0.62) MCHR1HRH3NPC1SMN1; SMN2KDM4E
SCHEMBL3869715 0.84 MCHR1 (0.63) MCHR1HRH3NPC1SMN1; SMN2KDM4E
SCHEMBL3879870 0.84 MCHR1 (0.63) MCHR1HRH3NPC1SMN1; SMN2KDM4E
SCHEMBL3871721 0.83 NPC1 (0.47) MCHR1HRH3NPC1SMN1; SMN2KDM4E
SCHEMBL3869115 0.82 SMN1; SMN2 (0.59) MCHR1NPC1SMN1; SMN2KDM4EKMT2A

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 MCHR1 4/4885HRH3 64/4885NPC1 2114/4885

“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.