SCHEMBL8259192

SCHEMBL8259192

COCC1=C(C(=O)OC)C(c2ccc(Cl)cc2F)C(C#N)=C(C)N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.48
TSHR P16473 1/20 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
TBXA2R P21731 2/20 0.42
SLC6A2 P23975 2/20 0.42
ADRA1A P35348 2/20 0.42
OPRM1 P35372 2/20 0.42
DRD3 P35462 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KCNH2 Q12809 2/20 0.42
KCNK2 O95069 1/20 0.42
ABCB11 O95342 1/20 0.42
ADRB2 P07550 1/20 0.42
ABCB1 P08183 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADRB3 P13945 1/20 0.42
DRD2 P14416 1/20 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
SCHEMBL8261054 0.91 KDM4E (0.54) NR3C2KDM4EGAA
SCHEMBL8258895 0.90 NR3C2 (0.52) NR3C2HTR1AADRA2ACHRM1DRD1
SCHEMBL8256663 0.88 NR3C2 (0.43) NR3C2TSHRKDM4EGAA
SCHEMBL8255085 0.86 NR3C2 (0.65) NR3C2HTR1AADRA2ACHRM1DRD1
SCHEMBL8252936 0.85 NR3C2 (0.43) NR3C2
SCHEMBL13587736 0.84 NR3C2 (0.41) NR3C2TSHRKDM4E
SCHEMBL8256999 0.84 HTT (0.43) NR3C2TSHRKDM4E
SCHEMBL8261000 0.82 NR3C2 (0.50) NR3C2KDM4EGAA
SCHEMBL8258913 0.82 HTR1A (0.58) TSHRHTR1AADRA2ACHRM1DRD1
SCHEMBL8261043 0.81 KDM4E (0.55) NR3C2TSHRTBXA2RABCB1ADORA3

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 12/4885TSHR 754/4885HTR1A 720/4885

“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.