SCHEMBL8259588

SCHEMBL8259588

COC(=O)C1=C(C2CC2)NC(C)=C(C#N)C1c1ccc(F)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 4/20 0.62
KDM4E B2RXH2 3/20 0.39
MAPT P10636 2/20 0.39
GLA P06280 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
KLK7 P49862 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.38
OPRL1 P41146 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL13587737 0.90 NR3C2 (0.49) NR3C2KDM4EMAPTGLACASP1
SCHEMBL8260704 0.88 NR3C2 (0.79) NR3C2KDM4EMAPTHSD17B10GAA
SCHEMBL8260705 0.87 NR3C2 (0.50) NR3C2MAPTTSHR
SCHEMBL13587784 0.87 NR3C2 (0.46) NR3C2KDM4EMAPTGLACASP1
SCHEMBL8255085 0.82 NR3C2 (0.65) NR3C2KDM4ESLC6A3
SCHEMBL8258559 0.82 NR3C2 (0.60) NR3C2OPRL1
SCHEMBL8252939 0.81 NR3C2 (0.63) NR3C2KDM4EGAASLC6A3
SCHEMBL3812166 0.80 HTT (0.43) NR3C2KDM4EMAPTGLACASP1
SCHEMBL8259767 0.80 NR3C2 (0.59) NR3C2GAA
SCHEMBL8252675 0.80 ALDH1A1 (0.39) NR3C2KDM4EMAPTGLACASP1

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 2 patents. 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
WO-2006066011-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES IRM LLC (BM) 2006-06-22 WO 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 3960/4885MAPT 2904/4885

“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.