SCHEMBL3875797

SCHEMBL3875797

C[C@@H]1CCC[C@H](C)N1Cc1ccc(CCNC(=O)c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
MAPT P10636 2/20 0.56
CHRM4 P08173 5/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
OPRK1 P41145 1/20 0.52
HRH3 Q9Y5N1 2/20 0.50
SLC6A5 Q9Y345 1/20 0.50
LTA4H P09960 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
SCHEMBL3874012 0.89 HRH3 (0.61) SMN1; SMN2NPC1RAB9AMAPTCHRM4
SCHEMBL3879449 0.86 NPC1 (0.54) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL3871674 0.84 NPC1 (0.49) SMN1; SMN2NPC1RAB9AMAPTCHRM4
SCHEMBL3869892 0.83 ALDH1A1 (0.50) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL3877383 0.83 HRH3 (0.70) SMN1; SMN2CHRM4MEN1KMT2AHRH3
SCHEMBL3868857 0.82 HRH3 (0.72) SMN1; SMN2CHRM4HRH3
SCHEMBL3868989 0.82 HRH3 (0.72) SMN1; SMN2CHRM4HRH3
SCHEMBL6716502 0.82 MEN1 (0.79) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL3868278 0.82 CHRM4 (0.60) SMN1; SMN2NPC1RAB9AMAPTCHRM4
SCHEMBL3868656 0.80 NPC1 (0.67) SMN1; SMN2NPC1RAB9AMAPTCHRM4

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 SMN1; SMN2 2397/4885NPC1 2114/4885RAB9A 1092/4885

“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.