SCHEMBL13587779

SCHEMBL13587779

COC(=O)C1=C(C)NC(Cc2ccc(F)cc2)=C(C#N)C1c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.49
CACNA1C Q13936 3/20 0.43
CACNA1F O60840 1/20 0.43
CACNA1D Q01668 1/20 0.43
CACNA1S Q13698 1/20 0.43
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
ADORA3 P0DMS8 3/20 0.41
MAPT P10636 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
TSHR P16473 2/20 0.41
NFKB1 P19838 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL13587769 0.95 NR3C2 (0.46) NR3C2CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL13587810 0.95 NR3C2 (0.50) NR3C2CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL13587798 0.95 NR3C2 (0.47) NR3C2CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL13587751 0.93 NR3C2 (0.47) NR3C2CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL13587753 0.88 NR3C2 (0.46) NR3C2CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL8260711 0.86 NR3C2 (0.62) NR3C2CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL13587742 0.84 NR3C2 (0.58) NR3C2CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL8261160 0.83 NR3C2 (0.50) NR3C2
SCHEMBL13587770 0.83 NR3C2 (0.57) NR3C2CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL13587808 0.83 NR3C2 (0.57) NR3C2CYP1A2CYP3A4ADORA3MAPT

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 NR3C2 12/4885CACNA1C 27/4885CACNA1F 34/4885

“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.