SCHEMBL2170753

SCHEMBL2170753

CC1(C)C(=O)N(C2C3CC4CC(C3)CC2C4)N1Cc1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
P2RX7 Q99572 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
HCRTR2 O43614 4/20 0.36
HCRTR1 O43613 3/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DAO P14920 1/20 0.36
HTT P42858 2/20 0.35
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
CYP2D6 P10635 1/20 0.35
CA12 O43570 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL2169612 0.85 HSD11B1 (0.34) MAPTTSHR
SCHEMBL2170813 0.84 PTGS1 (0.38) ACHEP2RX7MAPTALDH1A1HTT
SCHEMBL2168978 0.83 EPHX2 (0.40) P2RX7MAPTALDH1A1CYP2D6TSHR
SCHEMBL2169125 0.83 HSD11B1 (0.33)
SCHEMBL2168659 0.83 P2RX7 (0.34) P2RX7HCRTR2ALDH1A1CA12TSHR
SCHEMBL2168703 0.83 P2RX7 (0.40) P2RX7MAPTALDH1A1HTTCYP2D6
SCHEMBL2170857 0.83 MEN1 (0.40) ACHEALDH1A1CYP2D6CA12TSHR
SCHEMBL2168853 0.82 P2RX7 (0.35) P2RX7HCRTR2HCRTR1MAPT
SCHEMBL2170529 0.81 ALDH1A1 (0.39) P2RX7ALDH1A1TSHR
SCHEMBL2169436 0.81 EPHX2 (0.36) P2RX7GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252781-B2 1,2-diazetidin-3-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-28 US claimed
EP-2348019-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVE AND PHARMACEUTICAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2011-07-27 EP claimed
US-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD. (JP) 2010-06-10 US claimed
US-8252781-B2 1,2-diazetidin-3-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-28 US disclosed
US-8252781-B2 1,2-diazetidin-3-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-28 US disclosed
US-8252781-B2 1,2-diazetidin-3-one derivatives and drugs containing same KOWA COMPANY, LTD. (JP) 2012-08-28 US disclosed
EP-2348019-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVE AND PHARMACEUTICAL AGENT COMPRISING SAME Kowa Company, Ltd. (JP) 2011-07-27 EP disclosed
US-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD. (JP) 2010-06-10 US disclosed
US-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD. (JP) 2010-06-10 US disclosed
US-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME KOWA COMPANY, LTD. (JP) 2010-06-10 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-20100144694-A1 1,2-DIAZETIDIN-3-ONE DERIVATIVES AND DRUGS CONTAINING SAME HSD11B1, HSD11B2, HSD3B1 ACHE 2157/4885P2RX7 4755/4885DPP8 175/4885

“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.