SCHEMBL13587734

SCHEMBL13587734

COC(=O)C1=C(CCc2ccccc2)NC(C)=C(C#N)C1c1ccc(F)cc1I

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.46
TSHR P16473 1/20 0.41
CACNA1C Q13936 1/20 0.40

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
SCHEMBL8260834 0.91 NR3C2 (0.58) NR3C2
SCHEMBL13587787 0.90 NR3C2 (0.44) NR3C2TSHR
SCHEMBL8258517 0.90
SCHEMBL8261064 0.84 NR3C2 (0.58) NR3C2TSHRCACNA1C
SCHEMBL8257066 0.83 NR3C2 (0.46) NR3C2
SCHEMBL8260532 0.81 PLA2G2A (0.39) CACNA1C
SCHEMBL13587793 0.79 NR3C2 (0.44) NR3C2
SCHEMBL13587790 0.79 NR3C2 (0.50) NR3C2TSHRCACNA1C
SCHEMBL8252939 0.79 NR3C2 (0.63) NR3C2CACNA1C
SCHEMBL8259322 0.79 NR3C2 (0.48) NR3C2TSHR

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 12/4885TSHR 754/4885CACNA1C 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.