SCHEMBL23040307

SCHEMBL23040307

CC(C)(C)[S+]([O-])N[C@@H](c1ccccc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.33
CACNA1F O60840 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2B P18089 1/20 0.33
CHRM3 P20309 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
OPRK1 P41145 1/20 0.33
CACNA1D Q01668 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1S Q13698 1/20 0.33
CACNA1C Q13936 1/20 0.33
SCN5A Q14524 1/20 0.33
SLC6A4 P31645 1/20 0.33
RIPK1 Q13546 2/20 0.31
GPR3 P46089 1/20 0.30

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
SCHEMBL23040309 1.00 AOC3 (0.33) AOC3CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL23040311 1.00 AOC3 (0.33) AOC3CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL21622780 0.91 AOC3 (0.35) AOC3CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL23898741 0.84 AOC3 (0.32) AOC3CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL30018521 0.84 AOC3 (0.32) AOC3CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL25482504 0.84 AOC3 (0.32) AOC3CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL25264699 0.84 AOC3 (0.32) AOC3CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL25264698 0.84 AOC3 (0.32) AOC3CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL23040305 0.83 HIF1A (0.36) SLC6A3SLC6A4
SCHEMBL23040306 0.83 HIF1A (0.36) SLC6A3SLC6A4

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
EP-3768659-B1 AN IMPROVED ASYMMETRIC SYNTHESIS OF ALPHA-(DIARYLMETHYL) ALKYL AMINES PIRAMAL PHARMA LTD (IN) 2023-07-19 EP disclosed
US-11279668-B2 Asymmetric synthesis of alpha-(diarylmethyl) alkyl amines PIRAMAL PHARMA LIMITED (IN) 2022-03-22 US disclosed
US-20210061752-A1 AN IMPROVED ASYMMETRIC SYNTHESIS OF alpha-(DIARYLMETHYL) ALKYL AMINES Piramal Enterprises Limited (IN) 2021-03-04 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 (2 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-20210061752-A1 AN IMPROVED ASYMMETRIC SYNTHESIS OF alpha-(DIARYLMETHYL) ALKYL AMINES SAT1, BET1, SRM AOC3 1779/4885CACNA1F 331/4885CHRM2 1454/4885
US-11279668-B2 Asymmetric synthesis of alpha-(diarylmethyl) alkyl amines SAT1, SRM, SMS AOC3 1433/4885CACNA1F 428/4885CHRM2 1050/4885

“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.