SCHEMBL3870890

SCHEMBL3870890

CCC(c1ccc(CCNC(=O)c2ccc(Br)cc2)cc1)N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.47
ALDH1A1 P00352 3/20 0.47
MCHR1 Q99705 3/20 0.47
CYP2D6 P10635 1/20 0.47
CHRM1 P11229 1/20 0.47
HTR2A P28223 1/20 0.47
LMNA P02545 3/20 0.45
POLB P06746 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
HSP90AA1 P07900 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 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
SCHEMBL3869095 0.86 ALDH1A1 (0.49) ALDH1A1MCHR1CYP2D6CHRM1HTR2A
SCHEMBL3879297 0.86 MCHR1 (0.66) TP53MCHR1CYP2D6CHRM1HTR2A
SCHEMBL3868991 0.78 MCHR1 (0.49) ALDH1A1MCHR1LMNAMAPTKDM4E
SCHEMBL3867691 0.77 ALDH1A1 (0.56) ALDH1A1CYP2D6LMNAPOLBCTDSP1
SCHEMBL3875576 0.76 ALDH1A1 (0.55) ALDH1A1MCHR1CYP2D6LMNAPOLB
SCHEMBL3868850 0.76 NPC1 (0.48) ALDH1A1MCHR1CYP2D6CHRM1HTR2A
SCHEMBL15678780 0.74 HSP90AA1 (0.53) ALDH1A1MCHR1CYP2D6LMNAPOLB
SCHEMBL15679867 0.74 NPC1 (0.72) TP53ALDH1A1CYP2D6LMNAPOLB
SCHEMBL3872575 0.74 HSP90AA1 (0.58) CYP2D6POLBCTDSP1MAPTHSP90AA1
SCHEMBL3868712 0.73 MCHR1 (0.55) ALDH1A1MCHR1CYP2D6CHRM1HTR2A

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 TP53 4676/4885ALDH1A1 332/4885MCHR1 4/4885

“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.