SCHEMBL3879775

SCHEMBL3879775

CCCCOc1ccc(C(=O)NCCc2ccc(C(C)N3CCCC3C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.56
RAB9A P51151 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
HRH3 Q9Y5N1 4/20 0.46
ALDH1A1 P00352 1/20 0.46
CHRM4 P08173 1/20 0.45
TP53 P04637 3/20 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
SCHEMBL3879069 0.91 HRH3 (0.46) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3871721 0.89 NPC1 (0.47) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3868278 0.88 CHRM4 (0.60) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3868746 0.86 KDM4E (0.51) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3869706 0.85 NPC1 (0.62) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3874079 0.83 OPRM1 (0.51) HRH3CHRM4
SCHEMBL3873978 0.82 MCHR1 (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3869698 0.82 MCHR1 (0.59) NPC1RAB9AMAPTSMN1; SMN2HRH3
SCHEMBL3873176 0.81 HRH3 (0.45) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3875741 0.81 HRH3 (0.51) HRH3ALDH1A1CHRM4

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 2114/4885RAB9A 1092/4885MEN1 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.