SCHEMBL3875592

SCHEMBL3875592

CC(C)COc1ccc(C(=O)NCCc2ccc(CN3CCN(C)CC3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
HDAC6 Q9UBN7 2/20 0.54
MCHR1 Q99705 5/20 0.53
CHRM1 P11229 2/20 0.53
HTR2A P28223 2/20 0.53
FAAH O00519 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
CYP2D6 P10635 1/20 0.52
ACACB O00763 1/20 0.51
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
BDKRB1 P46663 1/20 0.48
KMT2A Q03164 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL3879860 0.92 MCHR1 (0.62) KDM4EMCHR1CHRM1HTR2AFAAH
SCHEMBL3867704 0.91 MCHR1 (0.63) KDM4EMCHR1CHRM1HTR2AFAAH
SCHEMBL3875600 0.91 MCHR1 (0.63) KDM4EMCHR1CHRM1HTR2AFAAH
SCHEMBL3879838 0.90 KDM4E (0.57) KDM4EHDAC6MCHR1CHRM1HTR2A
SCHEMBL3869079 0.86 CHRM4 (0.50) KDM4ESMN1; SMN2ACACBCA12CA1
SCHEMBL3868656 0.84 NPC1 (0.67) KDM4EFAAHSMN1; SMN2NPC1MAPT
SCHEMBL3869115 0.84 SMN1; SMN2 (0.59) KDM4EHDAC6MCHR1CHRM1HTR2A
SCHEMBL3870145 0.83 SMN1; SMN2 (0.57) KDM4EHDAC6MCHR1CHRM1HTR2A
SCHEMBL7703379 0.82 HDAC6 (0.64) KDM4EHDAC6MCHR1CHRM1HTR2A
SCHEMBL3879399 0.81 MCHR1 (0.60) KDM4EMCHR1CHRM1HTR2ASMN1; SMN2

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 KDM4E 1415/4885HDAC6 1117/4885MCHR1 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.