SCHEMBL13587748

SCHEMBL13587748

COCC1=C(C(=O)OCC(C)C)C(c2ccc(F)cc2C(F)(F)F)C(C#N)=C(C)N1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.52
CACNA1D Q01668 1/20 0.52
CACNA1S Q13698 1/20 0.52
CACNA1C Q13936 1/20 0.52

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
SCHEMBL8252692 0.92 CACNA1F (0.58) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL13587763 0.91
SCHEMBL13587754 0.90 CACNA1F (0.46) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL8259321 0.90 NR3C2 (0.59) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL8261045 0.89 KDM4E (0.54)
SCHEMBL13587760 0.89 NR3C2 (0.51)
SCHEMBL13587782 0.89
SCHEMBL8257370 0.88 CACNA1F (0.56) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL13587739 0.88 NR3C2 (0.48)
SCHEMBL8260819 0.88 NR3C2 (0.48)

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-20090298872-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES IRM LLC (BM) 2009-12-03 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-20090298872-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES TRPV1, TRPV2, TRPV6 CACNA1F 34/4885CACNA1D 37/4885CACNA1S 64/4885

“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.