SCHEMBL3868656

SCHEMBL3868656

CN1CCN(Cc2ccc(CCNC(=O)c3ccc(OCc4ccccc4)cc3)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.67
RAB9A P51151 4/20 0.67
TP53 P04637 2/20 0.67
CHRM4 P08173 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.61
MAPT P10636 2/20 0.58
KDM4E B2RXH2 2/20 0.58
HRH3 Q9Y5N1 2/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
SLC6A5 Q9Y345 1/20 0.56
FAAH O00519 1/20 0.56
ACHE P22303 1/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ALDH1A1 P00352 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL3877383 0.91 HRH3 (0.70) CHRM4SMN1; SMN2HRH3MEN1KMT2A
SCHEMBL7703379 0.90 HDAC6 (0.64) NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3868857 0.90 HRH3 (0.72) CHRM4SMN1; SMN2HRH3
SCHEMBL3868989 0.90 HRH3 (0.72) CHRM4SMN1; SMN2HRH3
SCHEMBL3875592 0.84 KDM4E (0.59) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL3868753 0.84 CHRM4 (0.67) NPC1RAB9ACHRM4SMN1; SMN2MAPT
SCHEMBL3869115 0.84 SMN1; SMN2 (0.59) NPC1RAB9ACHRM4SMN1; SMN2MAPT
SCHEMBL6716502 0.83 MEN1 (0.79) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL3879838 0.83 KDM4E (0.57) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL1329839 0.82 NPC1 (0.65) NPC1RAB9ATP53SMN1; SMN2MAPT

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 1092/4885TP53 4676/4885

“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.