SCHEMBL8259383

SCHEMBL8259383

COCCCC1=C(C(=O)OC)C(c2ccc(F)cc2Cl)C(C#N)=C(C)N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 4/20 0.61
HTR1A P08908 2/20 0.40
ADRA2A P08913 2/20 0.40
CHRM1 P11229 2/20 0.40
DRD1 P21728 2/20 0.40
TBXA2R P21731 2/20 0.40
SLC6A2 P23975 2/20 0.40
ADRA1A P35348 2/20 0.40
OPRM1 P35372 2/20 0.40
DRD3 P35462 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KCNH2 Q12809 2/20 0.40
KCNK2 O95069 1/20 0.40
ABCB11 O95342 1/20 0.40
ADRB2 P07550 1/20 0.40
ABCB1 P08183 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADRB3 P13945 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2C P18825 1/20 0.40

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
SCHEMBL8252939 0.94 NR3C2 (0.63) NR3C2HTR1AADRA2ACHRM1DRD1
SCHEMBL8259576 0.92 NR3C2 (0.56) NR3C2HTR1AADRA2ACHRM1DRD1
SCHEMBL8259767 0.92 NR3C2 (0.59) NR3C2GAA
SCHEMBL8260782 0.91 NR3C2 (0.75) NR3C2
SCHEMBL8255085 0.89 NR3C2 (0.65) NR3C2HTR1AADRA2ACHRM1DRD1
SCHEMBL13587789 0.89 NR3C2 (0.58) NR3C2
SCHEMBL8259186 0.88 NR3C2 (0.49) NR3C2
SCHEMBL8260834 0.86 NR3C2 (0.58) NR3C2
SCHEMBL8258559 0.86 NR3C2 (0.60) NR3C2
SCHEMBL8260704 0.86 NR3C2 (0.79) NR3C2TBXA2RADRA1ASLC6A3ABCB11

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 12/4885HTR1A 720/4885ADRA2A 362/4885

“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.