SCHEMBL1742229

SCHEMBL1742229

OC1(Cc2ccccc2)CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.71
OPRK1 P41145 10/20 0.71
OPRL1 P41146 10/20 0.71
OPRD1 P41143 9/20 0.71
CYP3A4 P08684 3/20 0.46
USP2 O75604 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP1A2 P05177 1/20 0.46
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
GRIN2B Q13224 1/20 0.44
MAPK1 P28482 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL69083 0.81 OPRM1 (0.56) OPRM1OPRK1OPRL1OPRD1CYP3A4
SCHEMBL13317173 0.81 OPRM1 (0.51) OPRM1OPRK1OPRL1OPRD1CYP3A4
SCHEMBL2142315 0.81 OPRM1 (0.51) OPRM1OPRK1OPRL1OPRD1CYP3A4
SCHEMBL18785448 0.80 OPRM1 (0.51) OPRM1OPRK1OPRL1OPRD1CYP3A4
SCHEMBL1489316 0.79 OPRM1 (0.50) OPRM1OPRK1OPRL1OPRD1CYP3A4
SCHEMBL1741852 0.79 OPRM1 (0.54) OPRM1OPRK1OPRL1OPRD1CYP3A4
SCHEMBL4578709 0.78 CYP3A4 (0.49) OPRM1OPRK1OPRL1OPRD1CYP3A4
SCHEMBL7691375 0.78 OPRL1 (0.60) OPRM1OPRK1OPRL1OPRD1CYP3A4
SCHEMBL3224569 0.77 OPRM1 (0.48) OPRM1OPRK1OPRL1OPRD1CYP3A4
SCHEMBL17542448 0.76 OPRM1 (0.50) OPRM1OPRK1OPRL1OPRD1CYP3A4

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3186224-B1 SUBSTITUTED AZETIDINE DERIVATIVES AS TAAR LIGANDS HOFFMANN LA ROCHE (CH) 2021-04-21 EP disclosed
CN-107001259-B Substituted azetidine derivatives as TAAR ligands 豪夫迈·罗氏有限公司 2019-12-06 CN disclosed
US-10023559-B2 Substituted azetidine derivatives HOFFMAN-LA ROCHE INC. (US) 2018-07-17 US disclosed
EP-3186224-A1 SUBSTITUTED AZETIDINE DERIVATIVES AS TAAR LIGANDS F. Hoffmann-La Roche AG (CH) 2017-07-05 EP disclosed
US-20170144994-A1 SUBSTITUTED AZETIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-05-25 US disclosed
WO-2016030310-A1 SUBSTITUTED AZETIDINE DERIVATIVES AS TAAR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2016-03-03 WO disclosed
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
US-20140088081-A1 Amino-Heterocyclic Compounds PFIZER INC. (US) 2014-03-27 US disclosed
US-8618117-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2013-12-31 US disclosed
US-8278295-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2012-10-02 US disclosed
US-8278295-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2012-10-02 US disclosed
US-8278295-B2 Amino-heterocyclic compounds PFIZER INC. (US) 2012-10-02 US disclosed
EP-2389382-A1 Amino-heterocyclic compounds used as pde9 inhibitors Pfizer Inc. (US) 2011-11-30 EP disclosed
US-8041687-B2 Dynamic generation of XML Schema for backend driven data validation INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-10-18 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PFIZER INC. 2010-07-29 US disclosed
WO-2010084438-A1 AMINO-HETEROCYCLIC COMPOUNDS USED AS PDE9 INHIBITORS PFIZER INC. (US) 2010-07-29 WO disclosed
WO-2010084438-A1 AMINO-HETEROCYCLIC COMPOUNDS USED AS PDE9 INHIBITORS PFIZER INC. (US) 2010-07-29 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 (4 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-10023559-B2 Substituted azetidine derivatives HTR1B, MTNR1B, DRD2 OPRM1 267/4885OPRK1 221/4885OPRL1 190/4885
US-20100190771-A1 AMINO-HETEROCYCLIC COMPOUNDS PDE9A, PDE2A, PDE10A OPRM1 3328/4885OPRK1 1981/4885OPRL1 1769/4885
US-20170144994-A1 SUBSTITUTED AZETIDINE DERIVATIVES HTR1B, MTNR1B, DRD2 OPRM1 267/4885OPRK1 221/4885OPRL1 190/4885
US-20140088081-A1 Amino-Heterocyclic Compounds PDE9A, PDE2A, PDE10A OPRM1 3328/4885OPRK1 1981/4885OPRL1 1769/4885

“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.