SCHEMBL13435156

SCHEMBL13435156

COC(CC(C)(C#N)c1ccccc1)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.34
CHRM2 P08172 2/20 0.34
CHRM3 P20309 2/20 0.34
CHRM1 P11229 1/20 0.34
CCR1 P32246 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL10195095 0.76 RIPK1 (0.44) CYP2D6CYP3A4CYP2C19DRD2DRD4
SCHEMBL10195090 0.75 RIPK1 (0.46) CYP2D6CYP3A4CYP2C19ESR1ESR2
SCHEMBL10229449 0.75 CYP2D6 (0.37) CYP2D6CYP3A4CYP2C19DRD2DRD4
SCHEMBL24302110 0.74 CYP2D6 (0.43) CYP2D6CYP3A4CYP2C19DRD2DRD4
SCHEMBL1492823 0.74 CYP2D6 (0.43) CYP2D6CYP3A4CYP2C19DRD2DRD4
SCHEMBL7886997 0.72 ESR1 (0.46) CYP2D6CYP3A4CYP2C19DRD2DRD4
SCHEMBL27486307 0.72 CYP2D6 (0.42) CYP2D6CYP3A4CYP2C19DRD2DRD4
SCHEMBL21858220 0.72 TAAR1 (0.54) CYP2D6CYP3A4DRD2DRD4OPRM1
SCHEMBL3240819 0.71 CYP2D6 (0.44) CYP2D6CYP3A4DRD2DRD4OPRM1
SCHEMBL6253277 0.71 CYP2D6 (0.41) CYP2D6CYP3A4CYP2C19DRD2DRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687644-B2 Adamantyl pyrrolidin-2-one derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-03-30 US disclosed
US-7687644-B2 Adamantyl pyrrolidin-2-one derivatives as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-03-30 US disclosed
US-20070287743-A1 Adamantyl Pyrrolidin-2-One Derivatives as 11-Beta Hydroxtsteroid Dehydrogenase Inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-13 US disclosed
US-20070287743-A1 Adamantyl Pyrrolidin-2-One Derivatives as 11-Beta Hydroxtsteroid Dehydrogenase Inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-13 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-20070287743-A1 Adamantyl Pyrrolidin-2-One Derivatives as 11-Beta Hydroxtsteroid Dehydrogenase Inhibitors HSD11B1, HSD11B2, HSDL2 CYP2D6 218/4885CYP3A4 133/4885CYP2C19 174/4885

“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.