SCHEMBL12188744

SCHEMBL12188744

Cn1c(C(=O)N2CCC(S(=O)(=O)c3cccc(O)c3)CC2)cc2ccc(F)cc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 7/20 0.41
▸ HTR2C P28335 6/20 0.41
▸ KCNH2 Q12809 5/20 0.41
▸ DRD2 P14416 3/20 0.41
▸ SPR P35270 2/20 0.40
▸ AHR P35869 1/20 0.38
▸ GPR6 P46095 1/20 0.38
▸ MGLL Q99685 3/20 0.37
▸ NR1I2 O75469 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36

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
SCHEMBL12188773 0.92 KDM4E (0.45) HTR2AHTR2CKCNH2DRD2SPR
SCHEMBL1809430 0.86 CACNA1B (0.50) HTR2AHTR2CKCNH2DRD2MGLL
SCHEMBL1811395 0.84 HTR2A (0.49) HTR2AHTR2CKCNH2DRD2SPR
SCHEMBL1811520 0.78 CACNA1B (0.50) HTR2AHTR2CKCNH2DRD2AHR
SCHEMBL1810369 0.77 AHR (0.56) HTR2AHTR2CKCNH2DRD2SPR
SCHEMBL12099414 0.75 HSD11B1 (0.46) DRD2MGLLCACNA1B
SCHEMBL1808433 0.73 AHR (0.53) HTR2AHTR2CKCNH2DRD2SPR
SCHEMBL1806735 0.71 AHR (0.47) HTR2AHTR2CKCNH2DRD2SPR
SCHEMBL12188601 0.71 GAA (0.49) SPRMGLL
SCHEMBL22516913 0.71 AHR (0.47) DRD2SPRAHR

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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B HTR2A 661/4885HTR2C 771/4885KCNH2 42/4885

“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.

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