SCHEMBL13435172

SCHEMBL13435172

N#Cc1cccc(CC2CCN(C3C4CC5CC(C4)CC3C5)C2=O)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.69
ROCK2 O75116 1/20 0.48
CHRM3 P20309 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MGLL Q99685 1/20 0.36
TACR1 P25103 1/20 0.36
MRGPRX1 Q96LB2 1/20 0.36
DPP4 P27487 1/20 0.36
FAP Q12884 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
GLA P06280 1/20 0.36
NR3C1 P04150 1/20 0.35
DRD4 P21917 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1C Q14123 1/20 0.35

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
SCHEMBL13435170 0.83 HSD11B1 (0.73) HSD11B1ROCK2ALDH1A1NR3C1DRD4
SCHEMBL13435191 0.82 HSD11B1 (1.00) HSD11B1ROCK2ALDH1A1
SCHEMBL3421958 0.81 HSD11B1 (0.70) HSD11B1ROCK2ALDH1A1
SCHEMBL13435168 0.78 HSD11B1 (0.68) HSD11B1ROCK2CHRM3
SCHEMBL3427426 0.76 HSD11B1 (0.78) HSD11B1ALDH1A1
SCHEMBL13435184 0.75 HSD11B1 (0.76) HSD11B1ALDH1A1
SCHEMBL13435181 0.75 HSD11B1 (0.68) HSD11B1ALDH1A1
SCHEMBL13435186 0.75 HSD11B1 (0.76) HSD11B1ROCK2
SCHEMBL3428183 0.75 HSD11B1 (0.61) HSD11B1ROCK2ALDH1A1
SCHEMBL13435182 0.74 HSD11B1 (0.67) HSD11B1ROCK2ALDH1A1

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 1/4885ROCK2 2350/4885CHRM3 3328/4885

“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.