SCHEMBL22950786

SCHEMBL22950786

CC[C@H](CC(C)C)C(=O)N1CCC(N(C)S(=O)(=O)c2cccc(C)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.58
HTR2C P28335 9/20 0.58
POLB P06746 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DRD2 P14416 2/20 0.43
HTR7 P34969 2/20 0.43
HTR1D P28221 1/20 0.43
DRD3 P35462 1/20 0.43
PTGDR Q13258 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
CACNA1B Q00975 1/20 0.43
HTR1A P08908 1/20 0.40
RORC P51449 1/20 0.39
CCKBR P32239 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38

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
SCHEMBL22950805 0.90 L3MBTL1 (0.46) HTR2AHTR2CPOLBALDH1A1LMNA
SCHEMBL11932003 0.85 HTR2A (0.57) HTR2AHTR2CPOLBALDH1A1LMNA
SCHEMBL4941507 0.77 CACNA1B (0.44) HTR2AHTR2CDRD2HTR7HTR1D
SCHEMBL4941500 0.77 CACNA1B (0.44) HTR2AHTR2CDRD2HTR7HTR1D
SCHEMBL4284293 0.76 CCKBR (0.45) HTR2AHTR2CDRD2HTR7HTR1D
SCHEMBL4278741 0.76 CCKBR (0.45) HTR2AHTR2CDRD2HTR7HTR1D
SCHEMBL22950732 0.75 DRD2 (0.40) HTR2AHTR2CDRD2HTR7HTR1D
SCHEMBL4282394 0.74 CACNA1B (0.57) HTR2AHTR2CCACNA1B
SCHEMBL4282390 0.74 CACNA1B (0.57) HTR2AHTR2CCACNA1B
SCHEMBL11937083 0.74 CACNA1B (0.57) HTR2AHTR2CCACNA1B

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-20210030695-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2021-02-04 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-20210030695-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 HTR2A 2257/4885HTR2C 3132/4885POLB 3240/4885

“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.