SCHEMBL13587784

SCHEMBL13587784

COC(=O)C1=C(C2CC2)NC(C)=C(C#N)C1c1ccc(F)cc1CF

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.46
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 3/20 0.38
HSD17B10 Q99714 3/20 0.38
HTT P42858 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
GLA P06280 1/20 0.38
KLK7 P49862 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CACNA1C Q13936 2/20 0.37
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL8259588 0.87 NR3C2 (0.62) NR3C2KDM4EGAAMAPTHSD17B10
SCHEMBL8260705 0.86 NR3C2 (0.50) NR3C2MAPTTSHRCACNA1CCYP1A2
SCHEMBL13587785 0.84 NR3C2 (0.46) NR3C2KDM4EGAA
SCHEMBL13587787 0.80 NR3C2 (0.44) NR3C2KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL3812166 0.79 HTT (0.43) NR3C2KDM4EGAAMAPTHSD17B10
SCHEMBL13587737 0.79 NR3C2 (0.49) NR3C2KDM4EGAAMAPTHSD17B10
SCHEMBL8258778 0.76 ALDH1A1 (0.58) NR3C2KDM4EGAAMAPTHSD17B10
SCHEMBL8252675 0.75 ALDH1A1 (0.39) NR3C2KDM4EGAAMAPTHSD17B10
SCHEMBL8260704 0.74 NR3C2 (0.79) NR3C2KDM4EGAAMAPTHSD17B10
SCHEMBL13587791 0.73 CACNA1C (0.46) NR3C2KDM4EGAAMAPTHSD17B10

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 12/4885KDM4E 3960/4885GAA 3395/4885

“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.