SCHEMBL13435168

SCHEMBL13435168

O=C1C(Cc2cccc(OC(F)(F)F)c2)CCN1C1C2CC3CC(C2)CC1C3

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.68
HCRTR1 O43613 8/20 0.41
HCRTR2 O43614 8/20 0.41
CHRM3 P20309 1/20 0.40
OPRM1 P35372 1/20 0.39
DAO P14920 1/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
CYP3A4 P08684 1/20 0.38
ROCK2 O75116 1/20 0.38
KCNN4 O15554 1/20 0.37

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
SCHEMBL13435187 0.90 HSD11B1 (0.68) HSD11B1HCRTR1HCRTR2CYP3A4
SCHEMBL3421958 0.87 HSD11B1 (0.70) HSD11B1ROCK2
SCHEMBL13435176 0.84 HSD11B1 (0.59) HSD11B1HCRTR1HCRTR2CYP3A4
SCHEMBL13435191 0.82 HSD11B1 (1.00) HSD11B1ROCK2
SCHEMBL3428183 0.81 HSD11B1 (0.61) HSD11B1ROCK2
SCHEMBL13435170 0.80 HSD11B1 (0.73) HSD11B1ROCK2
SCHEMBL13435172 0.78 HSD11B1 (0.69) HSD11B1CHRM3ROCK2
SCHEMBL13435186 0.77 HSD11B1 (0.76) HSD11B1ROCK2
SCHEMBL13435177 0.77 HSD11B1 (0.64) HSD11B1DAO
SCHEMBL3427613 0.77 HSD11B1 (0.64) HSD11B1ROCK2

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 HSD11B1 1/4885HCRTR1 1505/4885HCRTR2 981/4885

“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.