SCHEMBL3873176

SCHEMBL3873176

CC(C)CC(=O)Cc1ccc(C(=O)NCCc2ccc(C(C)N3CCCC3C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.45
ALDH1A1 P00352 5/20 0.41
MAPT P10636 5/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MCHR1 Q99705 5/20 0.39
CYP2D6 P10635 3/20 0.39
CHRM1 P11229 3/20 0.39
HTR2A P28223 3/20 0.39
POLB P06746 2/20 0.38
ESRRG P62508 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3879127 0.86 HRH3 (0.48) HRH3ALDH1A1MAPTLMNAKDM4E
SCHEMBL3879069 0.85 HRH3 (0.46) HRH3ALDH1A1MAPTLMNAKDM4E
SCHEMBL3869698 0.84 MCHR1 (0.59) HRH3MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL3873978 0.84 MCHR1 (0.58) HRH3ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL3868746 0.82 KDM4E (0.51) HRH3ALDH1A1MAPTLMNAKDM4E
SCHEMBL3875741 0.82 HRH3 (0.51) HRH3ALDH1A1MCHR1CYP2D6CHRM1
SCHEMBL3871721 0.81 NPC1 (0.47) HRH3MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL3879775 0.81 NPC1 (0.56) HRH3ALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL3868278 0.80 CHRM4 (0.60) HRH3ALDH1A1MAPTLMNAKDM4E
SCHEMBL3874079 0.79 OPRM1 (0.51) HRH3MCHR1CHRM1

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 HRH3 64/4885ALDH1A1 332/4885MAPT 4625/4885

“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.