SCHEMBL23898741

SCHEMBL23898741

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.32
CACNA1F O60840 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
ADRA2B P18089 1/20 0.32
CHRM3 P20309 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
OPRK1 P41145 1/20 0.32
CACNA1D Q01668 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
CACNA1S Q13698 1/20 0.32
CACNA1C Q13936 1/20 0.32
SCN5A Q14524 1/20 0.32
SLC6A4 P31645 1/20 0.32
PRCP P42785 1/20 0.30
KEAP1 Q14145 2/20 0.30
NFE2L2 Q16236 2/20 0.30
RIPK1 Q13546 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
SCHEMBL25264699 1.00 AOC3 (0.32) AOC3CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL30018521 1.00 AOC3 (0.32) AOC3CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL25482504 1.00 AOC3 (0.32) AOC3CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL25264698 1.00 AOC3 (0.32) AOC3CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL21622780 0.89 AOC3 (0.35) AOC3CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL23040309 0.84 AOC3 (0.33) AOC3CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL23040311 0.84 AOC3 (0.33) AOC3CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL23040307 0.84 AOC3 (0.33) AOC3CACNA1FCHRM2CHRM1ADRA2B
SCHEMBL21273192 0.83 CYP1A2 (0.32)
SCHEMBL21273195 0.83 CYP1A2 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150981-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-05-18 US disclosed
EP-4126848-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS Takeda Pharmaceutical Company Limited (JP) 2023-02-08 EP disclosed
CN-115380030-A N-heteroarylalkyl-2- (heterocyclyl and heterocyclylmethyl) acetamide derivatives as SSTR4 agonists 武田药品工业株式会社 2022-11-22 CN disclosed
WO-2021202781-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-10-07 WO 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-20230150981-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS SSTR4, SSTR3, SSTR5 AOC3 1236/4885CACNA1F 1705/4885CHRM2 212/4885

“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.