SCHEMBL13587775

SCHEMBL13587775

CCCC1=C(C(=O)OCC)C(c2ccc(F)cc2Cl)C(C#N)=C(c2ccco2)N1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.47
GAA P10253 2/20 0.44
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41

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
SCHEMBL8258774 0.89 ADORA2B (0.44) NR3C2GAAMAPTNPSR1KDM4E
SCHEMBL13587786 0.84 NR3C2 (0.49) NR3C2GAAMAPTNPSR1KDM4E
SCHEMBL13587776 0.81 NR3C2 (0.58) NR3C2GAAMAPTNPSR1KDM4E
SCHEMBL13587794 0.81 NR3C2 (0.49) NR3C2GAAMAPTNPSR1
SCHEMBL13587772 0.80 NR3C2 (0.59) NR3C2GAA
SCHEMBL8261039 0.78 MAPK1 (0.47) NR3C2GAAMAPTKDM4EALDH1A1
SCHEMBL8259786 0.77 NR3C2 (0.57) NR3C2GAA
SCHEMBL8260697 0.77 NR3C2 (0.61) NR3C2
SCHEMBL8258467 0.76 NR3C2 (0.60) NR3C2
SCHEMBL8252695 0.76 NR3C2 (0.59) NR3C2GAA

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 12/4885GAA 3395/4885MAPT 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.