SCHEMBL13435155

SCHEMBL13435155

O=C(O)C1(c2ccccc2)CCC(NC2C3CC4CC(C3)CC2C4)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.52
HSD11B1 P28845 7/20 0.50
AKR1C1 Q04828 1/20 0.49
CXCR3 P49682 2/20 0.48
EPHX2 P34913 2/20 0.44
KMT2A Q03164 3/20 0.42
TET3 O43151 1/20 0.42
FBXL19 Q6PCT2 1/20 0.42
CXXC5 Q7LFL8 1/20 0.42
TET1 Q8NFU7 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
CXXC4 Q9H2H0 1/20 0.42
KDM2A Q9Y2K7 1/20 0.42

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
SCHEMBL5163788 0.78 OPRL1 (0.53) CXCR3
SCHEMBL13435166 0.77 CXCR3 (0.54) HSD11B1CXCR3EPHX2KMT2A
SCHEMBL13435154 0.77 MEN1 (0.47) HSD11B1CXCR3KMT2A
Hydrochloric Acid SCHEMBL5165885 0.77 OPRL1 (0.54) CXCR3
SCHEMBL2022323 0.75 HSD11B1 (0.60) HSD11B1EPHX2KMT2A
SCHEMBL2027589 0.73 HSD11B1 (0.57) HSD11B1AKR1C1EPHX2KMT2A
SCHEMBL27853314 0.72 AKR1C1 (0.66) ALOX15HSD11B1AKR1C1KMT2ATET3
SCHEMBL6391 0.71 AKR1C1 (0.83) ALOX15HSD11B1AKR1C1KMT2ATET3
SCHEMBL31016196 0.71 AKR1C1 (0.83) ALOX15HSD11B1AKR1C1KMT2ATET3
SCHEMBL18608390 0.71 AKR1C1 (0.63) ALOX15AKR1C1KMT2ATET3FBXL19

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 ALOX15 995/4885HSD11B1 1/4885AKR1C1 36/4885

“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.