SCHEMBL1894598

SCHEMBL1894598

COc1ccc(C2N(C3C4CC5CC(C4)CC3C5)C(=O)C2(C)C)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD11B1 P28845 12/20 0.40
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KCNH2 Q12809 1/20 0.36
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL1902602 0.87 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1HSD11B1KCNH2POLB
SCHEMBL1894852 0.82 HSD11B1 (0.55) SMN1; SMN2ALDH1A1HSD11B1POLBPRMT5
SCHEMBL1898869 0.82 HSD11B1 (0.53) SMN1; SMN2ALDH1A1HSD11B1KCNH2GAA
SCHEMBL1895150 0.79 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1HSD11B1PKML3MBTL1
SCHEMBL1900112 0.78 HSD11B1 (0.44) ALDH1A1HSD11B1KCNH2
SCHEMBL1895704 0.77 HSD11B1 (0.55) HSD11B1KCNH2
SCHEMBL1896854 0.72 HSD11B1 (0.48) ALDH1A1HSD11B1L3MBTL1
SCHEMBL1898673 0.72 EPHX2 (0.41) SMN1; SMN2ALDH1A1HSD11B1
SCHEMBL1896038 0.72 ACHE (0.34) ALDH1A1HSD11B1P2RX7
SCHEMBL1895553 0.72 HSD11B1 (0.37) ALDH1A1HSD11B1GAA

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 6 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 claimed
US-8236789-B2 1-adamantyl azetidin-2-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-07 US disclosed
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
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 SMN1; SMN2 4586/4885ALDH1A1 169/4885HSD11B1 1/4885

“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.