SCHEMBL3869095

SCHEMBL3869095

CC(c1ccc(CCNC(=O)c2ccc(Br)cc2)cc1)N1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
MAPT P10636 1/20 0.49
MCHR1 Q99705 4/20 0.48
CYP2D6 P10635 1/20 0.48
CHRM1 P11229 1/20 0.48
HTR2A P28223 1/20 0.48
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HSP90AA1 P07900 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL3868991 0.91 MCHR1 (0.49) ALDH1A1LMNAKDM4EUSP2MAPT
SCHEMBL3870890 0.86 TP53 (0.47) ALDH1A1LMNAKDM4EUSP2MAPT
SCHEMBL3868850 0.86 NPC1 (0.48) ALDH1A1LMNAKDM4EUSP2MAPT
SCHEMBL3872340 0.86 ALDH1A1 (0.58) ALDH1A1LMNAKDM4EUSP2MAPT
SCHEMBL3868712 0.86 MCHR1 (0.55) ALDH1A1LMNAKDM4EUSP2MAPT
SCHEMBL3870571 0.85 MCHR1 (0.55) ALDH1A1LMNAKDM4EUSP2MAPT
SCHEMBL3870885 0.85 ALDH1A1 (0.57) ALDH1A1LMNAKDM4EUSP2MAPT
SCHEMBL3870079 0.85 ALDH1A1 (0.57) ALDH1A1LMNAKDM4EUSP2MAPT
SCHEMBL3881228 0.85 MCHR1 (0.67) ALDH1A1LMNAKDM4EUSP2MAPT
SCHEMBL3879241 0.85 MCHR1 (0.69) ALDH1A1MAPTMCHR1CYP2D6CHRM1

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 ALDH1A1 332/4885LMNA 4333/4885KDM4E 1415/4885

“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.