SCHEMBL17319038

SCHEMBL17319038

O=C(O)N1CCC2(CC1)CN(Cc1ccccc1)CCO2

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.70
CHRM2 P08172 7/20 0.57
CHRM3 P20309 7/20 0.57
CYP2D6 P10635 4/20 0.52
CYP3A4 P08684 2/20 0.48
OPRM1 P35372 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL22394216 0.89 MGLL (0.70) MGLLCHRM2CHRM3
SCHEMBL17611770 0.87 CHRM2 (0.69) MGLLCHRM2CHRM3CYP2D6OPRM1
SCHEMBL26552039 0.86 MGLL (0.60) MGLLCHRM2CHRM3CYP2D6CYP3A4
SCHEMBL17318938 0.84 MGLL (0.51) MGLLCHRM2CHRM3CYP2D6CYP3A4
SCHEMBL17324842 0.84 MGLL (0.70) MGLLCHRM2CHRM3CYP2D6CYP3A4
SCHEMBL21254493 0.83 MGLL (0.58) MGLLCHRM2CHRM3CYP2D6CYP3A4
SCHEMBL20397155 0.83 MGLL (1.00) MGLLCHRM2CHRM3CYP2D6CYP3A4
SCHEMBL18719631 0.82 MGLL (0.58) MGLLCHRM2CHRM3CYP2D6OPRM1
SCHEMBL21254504 0.82 MGLL (0.57) MGLLCHRM2CHRM3CYP2D6CYP3A4
SCHEMBL20411485 0.81 MGLL (1.00) MGLL

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-10858373-B2 Heterocyclic spiro compounds as MAGL inhibitors PFIZER INC. (US) 2020-12-08 US disclosed
US-20190292203-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER INC. (US) 2019-09-26 US disclosed
US-20180208608-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER (US) 2018-07-26 US disclosed
WO-2018134698-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS PFIZER INC. (US) 2018-07-26 WO disclosed
EP-3149007-A1 ALKYL AND ARYL DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN Laboratorios Del. Dr. Esteve, S.A. (ES) 2017-04-05 EP disclosed
WO-2015185207-A1 ALKYL AND ARYL DERIVATIVES OF 1-OXA-4,9-DIAZASPIRO UNDECANE COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2015-12-10 WO 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 (3 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-20190292203-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS MAG, MAGI3, APC MGLL 16/4885CHRM2 4353/4885CHRM3 4324/4885
US-20180208608-A1 HETEROCYCLIC SPIRO COMPOUNDS AS MAGL INHIBITORS MAG, MAGI3, APC MGLL 16/4885CHRM2 4353/4885CHRM3 4324/4885
US-10858373-B2 Heterocyclic spiro compounds as MAGL inhibitors MAG, MAGI3, APC MGLL 16/4885CHRM2 4353/4885CHRM3 4324/4885

“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.