SCHEMBL3868239

SCHEMBL3868239

O=S(=O)(NCCc1ccc(CN2CCCCC2)cc1)c1ccc(Br)cc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.72
SIGMAR1 Q99720 5/20 0.67
PPARG P37231 1/20 0.56
MAPT P10636 2/20 0.55
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 4/20 0.53
LMNA P02545 2/20 0.53
USP2 O75604 1/20 0.53
KMT2A Q03164 2/20 0.51
TNIK Q9UKE5 1/20 0.50
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.49

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 0.88 LSS (0.90) LSSSIGMAR1PPARGMAPTALDH1A1
SCHEMBL3868846 0.85 LSS (0.98) LSSPPARGMAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL27587869 0.80 LSS (0.62) LSSSIGMAR1MAPTALDH1A1LMNA
SCHEMBL9129519 0.80 LSS (0.76) LSSSIGMAR1PPARGMAPTALDH1A1
SCHEMBL270734 0.79 SIGMAR1 (1.00) SIGMAR1MAPTTDP1LMNAKMT2A
SCHEMBL9129012 0.78 LSS (0.72) LSSSIGMAR1PPARGMAPTALDH1A1
SCHEMBL6034608 0.77 SIGMAR1 (0.83) SIGMAR1MAPTTDP1LMNAKMT2A
SCHEMBL1241906 0.77 HRH3 (0.78) TDP1ALDH1A1TNIK
SCHEMBL29019309 0.76 ALDH1A1 (0.84) SIGMAR1PPARGTDP1ALDH1A1LMNA
SCHEMBL3913390 0.76 TAAR1 (0.72) PPARGTDP1ALDH1A1KMT2AMEN1

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 2955/4885SIGMAR1 135/4885PPARG 704/4885

“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.