SCHEMBL12401537

SCHEMBL12401537

Cc1cc(CN)cc(C)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.46
CHRM1 P11229 1/20 0.46
ALOX15 P16050 1/20 0.46
MAOA P21397 1/20 0.46
TBXA2R P21731 1/20 0.46
ADRA1A P35348 1/20 0.46
HTR2B P41595 1/20 0.46
PNMT P11086 1/20 0.39
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
LOX P28300 1/20 0.37
LOXL3 P58215 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
OGG1 O15527 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ENPP2 Q13822 1/20 0.34

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
SCHEMBL19451462 0.81 HTR2A (0.40) HTR2BS1PR2S1PR4S1PR1S1PR5
SCHEMBL91292 0.78 LOXL2 (0.35) PNMTS1PR2S1PR4S1PR1S1PR5
SCHEMBL2003716 0.77 CD44 (0.38) CYP3A4PNMTS1PR2S1PR4S1PR1
SCHEMBL20020024 0.77 MAOA (0.39) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL12440155 0.76 CYP3A4 (0.48) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL4351698 0.76 ALDH1A1 (0.52) CYP3A4LOXL2ALDH1A1TAAR1NSD3
SCHEMBL15874052 0.76 HTR1D (0.38) PNMTLOXL2ENPP2NSD3
SCHEMBL23328350 0.75 CSNK2A1 (0.37) HTR2BPNMTS1PR2S1PR4S1PR1
SCHEMBL14145128 0.75 SIRT1 (0.39) CYP3A4ALOX15S1PR2S1PR4S1PR1
SCHEMBL15787530 0.75 MAOA (0.43) CYP3A4CHRM1ALOX15MAOATBXA2R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-04 US 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-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS UGT2B7, NAT1, CYP2B6 CYP3A4 12/4885CHRM1 1170/4885ALOX15 2478/4885

“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.