SCHEMBL3869701

SCHEMBL3869701

Cc1cc(CN2CCCC2)ccc1Br

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 4/20 0.50
POLB P06746 1/20 0.50
HTT P42858 1/20 0.50
HRH4 Q9H3N8 1/20 0.48
PDE2A O00408 1/20 0.48
NCF1 P14598 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PRMT6 Q96LA8 1/20 0.46

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
SCHEMBL26113878 0.86 SMN1; SMN2 (0.43) SMN1; SMN2TDP1ALDH1A1POLBHTT
SCHEMBL15132866 0.83 HRH3 (0.59) HRH3SMN1; SMN2ALDH1A1POLBHTT
SCHEMBL23275726 0.82 KMT2A (0.62) SMN1; SMN2ALDH1A1HTTPDE2AKDM4E
SCHEMBL16945880 0.82 ALDH1A1 (0.55) HRH3SMN1; SMN2TDP1ALDH1A1POLB
SCHEMBL23430815 0.81 HRH3 (0.63) HRH3SMN1; SMN2TDP1ALDH1A1POLB
SCHEMBL1535757 0.79 SMN1; SMN2 (0.69) HRH3SMN1; SMN2TDP1ALDH1A1POLB
SCHEMBL3381044 0.79 ESR1 (0.55) HRH3SMN1; SMN2TDP1ALDH1A1POLB
SCHEMBL4146260 0.77 HRH3 (0.57) HRH3SMN1; SMN2TDP1ALDH1A1POLB
SCHEMBL24746120 0.77 ALDH1A1 (0.72) HRH3SMN1; SMN2ALDH1A1POLBHTT
SCHEMBL790908 0.77 HRH3 (0.52) HRH3SMN1; SMN2ALDH1A1POLBHTT

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 HRH3 64/4885SMN1; SMN2 2397/4885TDP1 4329/4885

“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.