SCHEMBL2280755

SCHEMBL2280755

Cc1cc([C@@H](C)N[S@@+]([O-])C(C)(C)C)cc(C)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.32
CYP3A4 P08684 1/20 0.31
CHRM1 P11229 1/20 0.31
ALOX15 P16050 1/20 0.31
MAOA P21397 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 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
SCHEMBL2237863 0.84 S1PR1 (0.32) S1PR1
SCHEMBL28336016 0.83 GRN (0.31)
SCHEMBL16770615 0.83 GRN (0.31)
SCHEMBL17061937 0.83 GRN (0.31)
SCHEMBL17061935 0.83 GRN (0.31)
SCHEMBL27413791 0.83 GRN (0.31)
SCHEMBL22886683 0.80
SCHEMBL2280762 0.80 S1PR1 (0.39) S1PR1
SCHEMBL4933832 0.80 CHRNA1 (0.38) CYP3A4
SCHEMBL2279138 0.80 GRN (0.30)

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-8791100-B2 Aryl benzylamine compounds NOVARTIS AG (CH) 2014-07-29 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 S1PR1 3064/4885CYP3A4 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.