SCHEMBL3812166

SCHEMBL3812166

COC(=O)C1=C(C2CC2)NC(C)=C(C#N)C1c1ccc(F)c(F)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.40
NR3C2 P08235 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 3/20 0.38
HSD17B10 Q99714 2/20 0.38
GLA P06280 1/20 0.38
CASP1 P29466 1/20 0.38
KLK7 P49862 1/20 0.38
CASP7 P55210 1/20 0.38
ALDH1A1 P00352 2/20 0.36
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
CACNA1C Q13936 1/20 0.36
POLB P06746 1/20 0.35
GAA P10253 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL8256999 0.82 HTT (0.43) HTTSMN1; SMN2TSHRNR3C2KDM4E
SCHEMBL8260816 0.82 HTT (0.40) HTTSMN1; SMN2TSHRNR3C2
SCHEMBL8259438 0.81 HTT (0.42) HTTSMN1; SMN2TSHRNR3C2KDM4E
SCHEMBL8259588 0.80 NR3C2 (0.62) HTTSMN1; SMN2TSHRNR3C2KDM4E
SCHEMBL13587737 0.80 NR3C2 (0.49) HTTSMN1; SMN2TSHRNR3C2KDM4E
SCHEMBL8260705 0.80 NR3C2 (0.50) TSHRNR3C2MAPTCACNA1CCYP1A2
SCHEMBL13587784 0.79 NR3C2 (0.46) HTTSMN1; SMN2TSHRNR3C2KDM4E
SCHEMBL13587762 0.76 NR3C2 (0.39) NR3C2
SCHEMBL8258778 0.76 ALDH1A1 (0.58) HTTSMN1; SMN2TSHRNR3C2KDM4E
SCHEMBL13587791 0.74 CACNA1C (0.46) HTTSMN1; SMN2NR3C2KDM4EMAPT

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 5 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
EP-1828135-A4 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES IRM LLC (BM) 2009-08-12 EP disclosed
EP-1828135-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES IRM, LLC (BM) 2007-09-05 EP disclosed
WO-2006066011-A2 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF STEROIDAL RECEPTORS AND CALCIUM CHANNEL ACTIVITIES IRM LLC (BM) 2006-06-22 WO 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 HTT 2576/4885SMN1; SMN2 4113/4885TSHR 754/4885

“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.