SCHEMBL2237058

SCHEMBL2237058

CC[C@@H](N)c1cc(C)c(Cl)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.39
CYP3A4 P08684 1/20 0.39
CHRM1 P11229 1/20 0.39
ALOX15 P16050 1/20 0.39
MAOA P21397 1/20 0.39
TBXA2R P21731 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
SCN4A P35499 3/20 0.34
OGG1 O15527 1/20 0.33
S1PR1 P21453 6/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MCL1 Q07820 1/20 0.31

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
SCHEMBL2236825 0.78 SLC6A4 (0.44) SLC6A4SCN4AS1PR1MCL1
SCHEMBL10361045 0.78 SLC6A4 (0.44) SLC6A4SCN4AS1PR1MCL1
SCHEMBL19090796 0.77 SLC6A4 (0.42) SLC6A4CYP3A4SCN4A
SCHEMBL20032315 0.77 CYP3A4 (0.42) CYP3A4CHRM1ALOX15MAOATBXA2R
Hydrochloric Acid SCHEMBL2236334 0.76 SLC6A4 (0.43) SLC6A4SCN4AS1PR1
SCHEMBL23627358 0.76 ALOX15 (0.41) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL8286105 0.75 SLC6A4 (0.43) SLC6A4ALDH1A1
SCHEMBL2278134 0.75 ADRB2 (0.46) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL27875873 0.75 ADRB2 (0.46) CYP3A4CHRM1ALOX15MAOATBXA2R
SCHEMBL5146823 0.74 SLC6A4 (0.48) SLC6A4CYP3A4CHRM1ALOX15TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791100-B2 Aryl benzylamine compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8791100-B2 Aryl benzylamine compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8791100-B2 Aryl benzylamine compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
EP-2531487-B1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2014-06-18 EP disclosed
EP-2531487-B1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2014-06-18 EP disclosed
EP-2531487-A1 ARYL BENZYLAMINE COMPOUNDS Novartis AG (CH) 2012-12-12 EP disclosed
WO-2011095452-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-11 WO disclosed
WO-2011095452-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-11 WO disclosed
US-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-04 US disclosed
US-20110190258-A1 ARYL BENZYLAMINE COMPOUNDS NOVARTIS AG (CH) 2011-08-04 US disclosed
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 SLC6A4 225/4885CYP3A4 12/4885CHRM1 1170/4885

“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.