SCHEMBL13766940

SCHEMBL13766940

O=C(NC1C2CC3CC(C2)CC1C3)c1cnn(CCNC2CC2)c1OCC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 13/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40
CNR2 P34972 2/20 0.37
FAAH O00519 1/20 0.37
CNR1 P21554 1/20 0.37
EPHX2 P34913 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
SCHEMBL13766941 0.98 HSD11B1 (0.41) HSD11B1HTTLMNACNR2FAAH
SCHEMBL13766973 0.94 HSD11B1 (0.39) HSD11B1HTTLMNACNR2FAAH
SCHEMBL13767276 0.94 GUCY1B2 (0.41) HSD11B1HTTLMNACNR2
SCHEMBL13767082 0.91 HSD11B1 (0.54) HSD11B1
SCHEMBL13766993 0.91 HSD11B1 (0.38) HSD11B1HTTLMNACNR2FAAH
SCHEMBL13767260 0.90 HSD11B1 (0.41) HSD11B1HTTLMNACNR2FAAH
SCHEMBL13766955 0.90 HSD11B1 (0.44) HSD11B1HTTLMNACNR2
SCHEMBL13766709 0.89 HSD11B1 (0.44) HSD11B1HTTLMNACNR2FAAH
SCHEMBL13766771 0.88 LMNA (0.43) LMNA
SCHEMBL13766895 0.88 HSD11B1 (0.46) HSD11B1HTTLMNACNR2CNR1

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-8324265-B2 Heterocyclic compounds having type I 11β hydroxysteroid dehydrogenase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-12-04 US disclosed
US-20090170832-A1 HETEROCYCLIC COMPOUNDS HAVING TYPE I 11beta HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2009-07-02 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-20090170832-A1 HETEROCYCLIC COMPOUNDS HAVING TYPE I 11beta HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY HSD17B1, HSD11B1, HSD3B1 HSD11B1 2/4885HTT 3719/4885LMNA 2271/4885

“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.