SCHEMBL13587764

SCHEMBL13587764

CCCC1=C(C(=O)OCC)C(c2cccnc2C)C(C#N)=C(C)N1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.70
CACNA1C Q13936 1/20 0.51

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
SCHEMBL13587780 0.89 NR3C2 (0.57) NR3C2
SCHEMBL8257346 0.82 NR3C2 (0.58) NR3C2CACNA1C
SCHEMBL13587735 0.80 NR3C2 (0.60) NR3C2
SCHEMBL13587774 0.79 NR3C2 (0.55) NR3C2CACNA1C
SCHEMBL13587728 0.79 NR3C2 (0.54) NR3C2
SCHEMBL8261070 0.76 NR3C2 (0.57) NR3C2
SCHEMBL3050505 0.74 ALDH1A1 (0.61) NR3C2
SCHEMBL10894470 0.73 CACNA1C (0.62) NR3C2CACNA1C
SCHEMBL13587772 0.73 NR3C2 (0.59) NR3C2
SCHEMBL8258773 0.73 NR3C2 (0.82) NR3C2CACNA1C

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 27/4885

“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.