SCHEMBL13435189

SCHEMBL13435189

CC1(Cc2ccc(OC(F)(F)F)cc2)CCN(C2C3CC4CC(C3)CC2C4)C1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 9/20 0.40
HCRTR2 O43614 9/20 0.40
LMNA P02545 1/20 0.40
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CYP3A4 P08684 3/20 0.37
GRM2 Q14416 1/20 0.36
LIPE Q05469 4/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL3427458 0.86 HSD11B1 (0.39) ALDH1A1
SCHEMBL13435190 0.83 HSD11B1 (0.50)
SCHEMBL13435171 0.80 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL3421964 0.78 ALDH1A1 (0.46) LMNAALDH1A1
SCHEMBL3424693 0.78 HSD11B1 (0.36)
SCHEMBL13435167 0.74 HSD11B1 (0.38) ALDH1A1
SCHEMBL1896528 0.74 CTSD (0.40) HCRTR1HCRTR2CTSDBACE1BACE2
SCHEMBL13435185 0.73 ALDH1A1 (0.35) ALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL13435187 0.73 HSD11B1 (0.68) HCRTR1HCRTR2ALDH1A1TSHRCYP3A4
SCHEMBL3426482 0.72 HSD11B1 (0.34)

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-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

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 HCRTR1 1505/4885HCRTR2 981/4885LMNA 1720/4885

“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.