SCHEMBL3872698

SCHEMBL3872698

O=C(C=C(c1ccc(Cl)cc1)c1ccc(CN2CCCC2)cc1)Nc1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.62
CHRM1 P11229 5/20 0.56
MCHR1 Q99705 5/20 0.56
HTR2A P28223 4/20 0.56
GPR183 P32249 1/20 0.54
NPC1 O15118 2/20 0.53
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
RAB9A P51151 2/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 2/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HDAC1 Q13547 1/20 0.48

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
SCHEMBL3872694 1.00 TNIK (0.62) TNIKCHRM1MCHR1HTR2AGPR183
SCHEMBL3872695 1.00 TNIK (0.62) TNIKCHRM1MCHR1HTR2AGPR183
SCHEMBL3869109 0.91 MCHR1 (0.67) TNIKCHRM1MCHR1HTR2ANPC1
SCHEMBL3869105 0.91 MCHR1 (0.67) TNIKCHRM1MCHR1HTR2ANPC1
SCHEMBL3869111 0.91 MCHR1 (0.67) TNIKCHRM1MCHR1HTR2ANPC1
SCHEMBL13646597 0.78 KDM4E (0.58) CHRM1MCHR1HTR2AGPR183SMN1; SMN2
SCHEMBL28663251 0.77 RAB9A (0.76) CHRM1MCHR1HTR2ANPC1GAA
SCHEMBL22079996 0.77 RAB9A (0.76) CHRM1MCHR1HTR2ANPC1GAA
Hydrochloric Acid SCHEMBL3869054 0.77 ALDH1A1 (0.57) CHRM1MCHR1HTR2AGPR183SMN1; SMN2
Hydrochloric Acid SCHEMBL3869056 0.77 ALDH1A1 (0.57) CHRM1MCHR1HTR2AGPR183SMN1; 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 3 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-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 TNIK 4677/4885CHRM1 217/4885MCHR1 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.