SCHEMBL1896218

SCHEMBL1896218

COC(=O)[C@]12CC3CC(C1)[C@@H](N)[C@@H](C3)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.42
HSD11B1 P28845 6/20 0.42
SCN9A Q15858 2/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
HSD11B2 P80365 2/20 0.37
GAA P10253 1/20 0.37
XBP1 P17861 1/20 0.37
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 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
SCHEMBL12578570 1.00 GLA (0.42) GLAHSD11B1SCN9AALDH1A1MAPT
SCHEMBL13579581 1.00 GLA (0.42) GLAHSD11B1SCN9AALDH1A1MAPT
SCHEMBL328838 1.00 GLA (0.42) GLAHSD11B1SCN9AALDH1A1MAPT
SCHEMBL1844624 1.00 GLA (0.42) GLAHSD11B1SCN9AALDH1A1MAPT
SCHEMBL1844620 1.00 GLA (0.42) GLAHSD11B1SCN9AALDH1A1MAPT
SCHEMBL1844621 1.00 GLA (0.42) GLAHSD11B1SCN9AALDH1A1MAPT
Hydrochloric Acid SCHEMBL706736 0.98 HSD11B1 (0.41) GLAHSD11B1SCN9AALDH1A1MAPT
Methyl Alcohol SCHEMBL5319479 0.98 HSD11B1 (0.41) GLAHSD11B1SCN9AALDH1A1MAPT
Methyl Alcohol SCHEMBL5318301 0.97 HSD11B1 (0.40) GLAHSD11B1SCN9AALDH1A1MAPT
SCHEMBL15831171 0.89 GLA (0.47) GLAHSD11B1SCN9AALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236789-B2 1-adamantyl azetidin-2-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-07 US disclosed
EP-2322505-A1 1-ADAMANTYLAZETIDIN-2-ONE DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME Kowa Company, Ltd. (JP) 2011-05-18 EP disclosed
US-20100075943-A1 1-ADAMANTYLAZETIDIN-2-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD., (JP) 2010-03-25 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-20100075943-A1 1-ADAMANTYLAZETIDIN-2-ONE DERIVATIVES AND DRUGS CONTAINING SAME HSD11B1, HSD3B1, CYP46A1 GLA 3883/4885HSD11B1 1/4885SCN9A 993/4885

“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.