SCHEMBL3868846

SCHEMBL3868846

O=S(=O)(NCCc1ccc(CN2CCCCC2)cc1)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.98

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.98
MCHR1 Q99705 8/20 0.61
CHRM1 P11229 5/20 0.59
HTR2A P28223 5/20 0.59
CYP2D6 P10635 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
HTT P42858 1/20 0.58
TBXA2R P21731 1/20 0.55
KDM4E B2RXH2 1/20 0.54
PPARG P37231 2/20 0.54
MAPT P10636 1/20 0.53
HRH3 Q9Y5N1 2/20 0.51
HRH4 Q9H3N8 1/20 0.51
PRMT1 Q99873 1/20 0.51
USP2 O75604 1/20 0.51

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
SCHEMBL9130927 0.96 LSS (0.90) LSSMCHR1CHRM1HTR2ACYP2D6
SCHEMBL9129519 0.88 LSS (0.76) LSSMEN1KMT2AALDH1A1LMNA
SCHEMBL9129012 0.85 LSS (0.72) LSSMEN1KMT2AALDH1A1LMNA
SCHEMBL3868239 0.85 LSS (0.72) LSSMEN1KMT2AALDH1A1LMNA
SCHEMBL9754552 0.81 MEN1 (0.84) LSSMEN1KMT2AALDH1A1LMNA
SCHEMBL9131391 0.81 LSS (0.65) LSSMEN1KMT2AALDH1A1LMNA
SCHEMBL9172903 0.80 LSS (0.64) LSSHRH3
SCHEMBL9170751 0.79 HPGD (0.75) LSSMEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL27587869 0.78 LSS (0.62) LSSKMT2AALDH1A1LMNAMAPT
SCHEMBL11610713 0.78 ALDH1A1 (0.88) LSSMCHR1CHRM1HTR2ACYP2D6

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 LSS 2955/4885MCHR1 4/4885CHRM1 217/4885

“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.