SCHEMBL13587809

SCHEMBL13587809

COC(=O)C1=C(C)NC(Cc2ccccc2F)=C(C#N)C1c1ccc(F)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.57
TSHR P16473 3/20 0.43
TBXA2R P21731 3/20 0.42
ADRA1A P35348 3/20 0.42
SLC6A3 Q01959 3/20 0.42
HTR1A P08908 2/20 0.42
ADRA2A P08913 2/20 0.42
CHRM1 P11229 2/20 0.42
DRD1 P21728 2/20 0.42
SLC6A2 P23975 2/20 0.42
OPRM1 P35372 2/20 0.42
DRD3 P35462 2/20 0.42
KCNH2 Q12809 2/20 0.42
ABCB11 O95342 2/20 0.42
ABCB1 P08183 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
ADRB3 P13945 2/20 0.42
OPRK1 P41145 2/20 0.42
SCN5A Q14524 2/20 0.42
CACNA1C Q13936 2/20 0.42

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
SCHEMBL13587757 0.89 NR3C2 (0.58) NR3C2TSHRTBXA2RADRA1ASLC6A3
SCHEMBL13587753 0.89 NR3C2 (0.46) NR3C2TSHRADORA3CACNA1CCYP2C9
SCHEMBL8258466 0.88 NR3C2 (0.52) NR3C2TSHRALDH1A1CYP2C9HSD17B10
SCHEMBL8255204 0.88 ABCB11 (0.45) NR3C2TSHRTBXA2RADRA1ASLC6A3
SCHEMBL13587803 0.88 NR3C2 (0.58) NR3C2TSHRTBXA2RADRA1ASLC6A3
SCHEMBL13587807 0.86 NR3C2 (0.63) NR3C2TSHRTBXA2RADRA1ASLC6A3
SCHEMBL13587742 0.86 NR3C2 (0.58) NR3C2TSHRTBXA2RADRA1ASLC6A3
SCHEMBL8261064 0.85 NR3C2 (0.58) NR3C2TSHRTBXA2RADRA1ASLC6A3
SCHEMBL13587738 0.84 NR3C2 (0.55) NR3C2TSHRTBXA2RADRA1ASLC6A3
SCHEMBL13587770 0.84 NR3C2 (0.57) NR3C2TSHRTBXA2RADRA1ASLC6A3

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 754/4885TBXA2R 138/4885

“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.