SCHEMBL3879449

SCHEMBL3879449

C[C@@H]1CCC[C@H](C)N1Cc1ccc(CCNC(=O)c2ccc(OCC3CC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 1/20 0.48
RAB9A P51151 3/20 0.47
MAPT P10636 3/20 0.47
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MCHR1 Q99705 3/20 0.45
OPRK1 P41145 1/20 0.45
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
HTR2A P28223 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL3871674 0.90 NPC1 (0.49) NPC1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL3867697 0.88 MCHR1 (0.57) NPC1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL3875797 0.86 SMN1; SMN2 (0.56) NPC1SMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL3869892 0.85 ALDH1A1 (0.50) NPC1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL3881263 0.84 MCHR1 (0.62) NPC1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL3869715 0.83 MCHR1 (0.63) NPC1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL3879870 0.83 MCHR1 (0.63) NPC1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL3869115 0.82 SMN1; SMN2 (0.59) NPC1SMN1; SMN2KMT2AKDM4ERAB9A
SCHEMBL3868696 0.81 MCHR1 (0.67) NPC1SMN1; SMN2RAB9AMAPTMCHR1
SCHEMBL3871721 0.81 NPC1 (0.47) NPC1SMN1; SMN2MEN1KMT2AKDM4E

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 2114/4885SMN1; SMN2 2397/4885MEN1 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.