SCHEMBL3582865

SCHEMBL3582865

OCC1CN(Cc2ccccc2)C1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.63
GBA1 P04062 1/20 0.62
CYP2D6 P10635 1/20 0.59
SIGMAR1 Q99720 2/20 0.56
S1PR1 P21453 1/20 0.54
S1PR5 Q9H228 1/20 0.54
CCR3 P51677 1/20 0.52
ALDH1A1 P00352 1/20 0.51
CXCR4 P61073 1/20 0.49

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
SCHEMBL51716 0.94 FUCA1 (0.58) FUCA1GBA1CYP2D6SIGMAR1S1PR1
SCHEMBL63432 0.94 FUCA1 (0.58) FUCA1GBA1CYP2D6SIGMAR1S1PR1
SCHEMBL5640368 0.92 CYP2D6 (0.65) FUCA1GBA1CYP2D6SIGMAR1CCR3
SCHEMBL8545766 0.87 CYP2D6 (0.68) CYP2D6SIGMAR1CCR3ALDH1A1CXCR4
SCHEMBL5968994 0.87 CYP2D6 (0.68) CYP2D6SIGMAR1CCR3ALDH1A1CXCR4
SCHEMBL1386235 0.87 CYP2D6 (0.68) CYP2D6SIGMAR1CCR3ALDH1A1CXCR4
SCHEMBL14759418 0.86 GBA1 (0.75) FUCA1GBA1SIGMAR1S1PR1S1PR5
SCHEMBL1190716 0.86 GBA1 (0.75) FUCA1GBA1SIGMAR1S1PR1S1PR5
SCHEMBL742926 0.86 GBA1 (0.75) FUCA1GBA1SIGMAR1S1PR1S1PR5
SCHEMBL14759416 0.86 GBA1 (0.75) FUCA1GBA1SIGMAR1S1PR1S1PR5

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-8283345-B2 Azetidine analogues of nucleosidase and phosphorylase inhibitors INDUSTRIAL RESEARCH LIMITED (NZ) 2012-10-09 US disclosed
US-20100168141-A1 AZETIDINE ANALOGUES NUCLEOSIDASE AND PHOSPHORYLASE INHIBITORS ALBERT EINSTEIN COLLEGE OF MEDICINE 2010-07-01 US disclosed
EP-0190786-B1 AZETIDINE DERIVATIVES; PROCESS FOR THEIR PREPARATION; AND THEIR USE AS INTERMEDIATES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-04-04 EP disclosed
US-4855452-A N-substituted azetidine carboxylate derivatives SHELL OIL COMPANY (US) 1989-08-08 US disclosed
US-4778577-A OXIDATION OF ALCOHOL TO ACID WITH NICKEL/III/COMPOUND SHELL OIL COMPANY (US) 1988-10-18 US disclosed
EP-0221579-A1 A process for the preparation of an azetidine-3-carboxylic acid or salt thereof SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1987-05-13 EP disclosed
US-4634554-A N-benzyl,3-hydroxymethyl and 3-alkanoyloxymethyl azetidine derivatives SHELL OIL COMPANY (US) 1987-01-06 US disclosed
EP-0199413-A2 Process for preparing azetidine derivatives and novel intermediates therein SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-10-29 EP disclosed
EP-0190786-A1 Azetidine derivatives; process for their preparation; and their use as intermediates SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-08-13 EP disclosed
EP-0140437-A2 Substituted azetidine derivatives, process for their preparation, and their use as intermediates SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1985-05-08 EP 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-20100168141-A1 AZETIDINE ANALOGUES NUCLEOSIDASE AND PHOSPHORYLASE INHIBITORS PNP, SNRPD2, SRR FUCA1 423/4885GBA1 621/4885CYP2D6 101/4885

“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.