SCHEMBL3872674

SCHEMBL3872674

CN1CCCC1c1ccc(CCNC(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.47
OPRM1 P35372 2/20 0.47
OPRK1 P41145 2/20 0.47
OPRD1 P41143 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HSP90AA1 P07900 1/20 0.45
MCHR1 Q99705 3/20 0.45
CYP2D6 P10635 1/20 0.45
CHRM1 P11229 1/20 0.45
HTR2A P28223 1/20 0.45
KDM1A O60341 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL3868610 0.86 MCHR1 (0.64) HRH3MCHR1CYP2D6CHRM1HTR2A
SCHEMBL3868245 0.84 KDM4E (0.55) HRH3OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL3868986 0.83 NPC1 (0.51) HRH3OPRM1OPRK1OPRD1MCHR1
SCHEMBL1117990 0.77 CHRNB2 (0.67) CHRNB2CHRNA7CHRNA4
SCHEMBL20680930 0.77 CHRNB2 (0.67) CHRNB2CHRNA7CHRNA4
SCHEMBL7681449 0.77 CHRNB2 (0.49) CHRNB2CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL7685674 0.76 CHRNB2 (0.48) ALDH1A1CHRNB2CHRNA7CHRNA4
SCHEMBL3867675 0.75 HSP90AA1 (0.53) HSP90AA1CYP2D6POLBCTDSP1HDAC2
SCHEMBL15679867 0.75 NPC1 (0.72) ALDH1A1HSP90AA1CYP2D6POLBCTDSP1
SCHEMBL3872575 0.75 HSP90AA1 (0.58) HSP90AA1CYP2D6POLBCTDSP1HDAC2

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 64/4885OPRM1 139/4885OPRK1 145/4885

“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.