SCHEMBL247653

SCHEMBL247653

c1ccc(C(c2ccccc2)[C@@H]2CO2)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.59
CHRM4 P08173 2/20 0.59
CHRM5 P08912 2/20 0.59
CHRM1 P11229 2/20 0.59
CHRM3 P20309 2/20 0.59

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
SCHEMBL245103 1.00 CHRM2 (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL244373 1.00 CHRM2 (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17802359 0.88 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17802361 0.88 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17802339 0.88 CHRM1 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17814911 0.88 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17802337 0.88 CHRM1 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL244385 0.82
SCHEMBL3397822 0.82
SCHEMBL242417 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210186969-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-06-24 US disclosed
US-10980805-B2 Aza-pyridone compounds and uses thereof Janssen Biopharma, Inc. (US) 2021-04-20 US disclosed
EP-3030566-B1 7,8-DIHYDRO-3H-PYRAZINO[1,2-B]PYRIDAZINE-3,5(6H)-DIONE COMPOUNDS AND USES THEREOF JANSSEN BIOPHARMA INC (US) 2020-07-08 EP disclosed
US-10702523-B2 AZA-pyridone compounds and uses thereof Janssen Biopharma, Inc. (US) 2020-07-07 US disclosed
US-20200030328-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2020-01-30 US disclosed
US-20190314373-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF ALIOS BIOPHARMA, INC. (US) 2019-10-17 US disclosed
US-10251882-B2 Aza-pyridone compounds and uses thereof ALIOS BIOPHARMA, INC. (US) 2019-04-09 US disclosed
US-10183945-B2 Method of preparing AZA-pyridone compounds ALIOS BIOPHARMA, INC. (US) 2019-01-22 US disclosed
US-20170260189-A1 METHOD OF PREPARING AZA-PYRIDONE COMPOUNDS Janssen Pharmaceuticals, Inc. 2017-09-14 US disclosed
WO-2017156407-A1 METHOD OF PREPARING AZA-PYRIDONE COMPOUNDS ALIOS BIOPHARMA, INC. (US) 2017-09-14 WO disclosed
EP-1976381-A2 TRI-SUBSTITUTED 2-BENZHYDRYL-5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES WAYNE STATE UNIVERSITY (US) 2008-10-08 EP disclosed
US-20080167478-A1 Tri-Substituted 2-Benzhydryl-5-Benzlamino-Tetrahydro-Pyran-4-OL and 6-Benzhydryl-4-Benzylamino-Tetrahydro-Pyran-3-OL Analogues, and Novel 3,6-Disubstituted Pyran Derivatives WAYNE STATE UNIVERSITY (US) 2008-07-10 US disclosed
US-20080167478-A1 Tri-Substituted 2-Benzhydryl-5-Benzlamino-Tetrahydro-Pyran-4-OL and 6-Benzhydryl-4-Benzylamino-Tetrahydro-Pyran-3-OL Analogues, and Novel 3,6-Disubstituted Pyran Derivatives WAYNE STATE UNIVERSITY (US) 2008-07-10 US disclosed
EP-1734948-A4 TRI-SUBSTITUED 2-BENZHYDRYL-5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES UNIV WAYNE STATE (US) 2008-04-16 EP disclosed
US-20070276005-A1 TRI-SUBSTITUED 2-BENZHYDRYL 5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6 DISUBSTITUTED PYRAN DERIVATIVES WAYNE STATE UNIVERSITY (US) 2007-11-29 US disclosed
US-20070276005-A1 TRI-SUBSTITUED 2-BENZHYDRYL 5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6 DISUBSTITUTED PYRAN DERIVATIVES WAYNE STATE UNIVERSITY (US) 2007-11-29 US disclosed
WO-2007082292-A2 TRI-SUBSTITUTED 2-BENZHYDRYL-5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES WAYNE STATE UNIVERSITY (US) 2007-07-19 WO disclosed
EP-1734948-A1 TRI-SUBSTITUED 2-BENZHYDRYL-5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES WAYNE STATE UNIVERSITY (US) 2006-12-27 EP disclosed
US-20060122263-A1 Tri-substituted 2-benzhydryl-5-benzlamino-tetrahydro-pyran-4-ol and 6-benzhydryl-4-benzylamino-tetrahydro-pyran-3-ol analogues, and novel 3,6-disubstituted pyran derivatives NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2006-06-08 US disclosed
WO-2005105075-A1 TRI-SUBSTITUED 2-BENZHYDRYL-5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES WAYNE STATE UNIVERSITY (US) 2005-11-10 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 (11 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-20200030328-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK CHRM2 359/4885CHRM4 109/4885CHRM5 266/4885
US-20060122263-A1 Tri-substituted 2-benzhydryl-5-benzlamino-tetrahydro-pyran-4-ol and 6-benzhydryl-4-benzylamino-tetrahydro-pyran-3-ol analogues, and novel 3,6-disubstituted pyran derivatives TPH1, TPH2, HTR4 CHRM2 2472/4885CHRM4 1073/4885CHRM5 1360/4885
US-20080167478-A1 Tri-Substituted 2-Benzhydryl-5-Benzlamino-Tetrahydro-Pyran-4-OL and 6-Benzhydryl-4-Benzylamino-Tetrahydro-Pyran-3-OL Analogues, and Novel 3,6-Disubstituted Pyran Derivatives TPH1, TPH2, HTR4 CHRM2 2472/4885CHRM4 1073/4885CHRM5 1360/4885
US-20170260189-A1 METHOD OF PREPARING AZA-PYRIDONE COMPOUNDS PNPO, ITPA, AZI2 CHRM2 1571/4885CHRM4 672/4885CHRM5 984/4885
US-10980805-B2 Aza-pyridone compounds and uses thereof PNPO, ITPA, PDXK CHRM2 359/4885CHRM4 109/4885CHRM5 266/4885
US-20190314373-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK CHRM2 359/4885CHRM4 109/4885CHRM5 266/4885
US-10251882-B2 Aza-pyridone compounds and uses thereof PNPO, ITPA, PDXK CHRM2 359/4885CHRM4 109/4885CHRM5 266/4885
US-20210186969-A1 AZA-PYRIDONE COMPOUNDS AND USES THEREOF PNPO, ITPA, PDXK CHRM2 359/4885CHRM4 109/4885CHRM5 266/4885
US-10183945-B2 Method of preparing AZA-pyridone compounds PNPO, ITPA, AZI2 CHRM2 1571/4885CHRM4 672/4885CHRM5 984/4885
US-20070276005-A1 TRI-SUBSTITUED 2-BENZHYDRYL 5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6 DISUBSTITUTED PYRAN DERIVATIVES TPH1, TPH2, HTR4 CHRM2 2234/4885CHRM4 1063/4885CHRM5 1281/4885
US-10702523-B2 AZA-pyridone compounds and uses thereof PNPO, ITPA, PDXK CHRM2 359/4885CHRM4 109/4885CHRM5 266/4885

“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.