SCHEMBL2769798

SCHEMBL2769798

CO[C@H]1CN(C(c2ccccc2)c2ccccc2)[C@@H]1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.42
OPRL1 P41146 4/20 0.40
OPRM1 P35372 4/20 0.40
OPRK1 P41145 2/20 0.40
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
DRD1 P21728 1/20 0.37
ADRA1D P25100 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL14671934 1.00 OPRD1 (0.42) OPRD1OPRL1OPRM1OPRK1CHRM2
SCHEMBL27262383 1.00 OPRD1 (0.42) OPRD1OPRL1OPRM1OPRK1CHRM2
SCHEMBL14663828 1.00 OPRD1 (0.42) OPRD1OPRL1OPRM1OPRK1CHRM2
SCHEMBL14663829 1.00 OPRD1 (0.42) OPRD1OPRL1OPRM1OPRK1CHRM2
SCHEMBL14663826 1.00 OPRD1 (0.42) OPRD1OPRL1OPRM1OPRK1CHRM2
SCHEMBL9595879 0.81 SLC6A9 (0.42) OPRD1OPRL1OPRM1OPRK1CHRM2
SCHEMBL5458868 0.80 OPRD1 (0.38) OPRD1OPRL1OPRM1OPRK1CYP2D6
SCHEMBL30642715 0.80 OPRD1 (0.38) OPRD1OPRL1OPRM1OPRK1CYP2D6
SCHEMBL5450723 0.80 OPRD1 (0.38) OPRD1OPRL1OPRM1OPRK1CYP2D6
SCHEMBL5458873 0.80 OPRD1 (0.38) OPRD1OPRL1OPRM1OPRK1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734521-B1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS NOVARTIS AG (CH) 2017-05-10 EP disclosed
US-9505755-B2 Tetrahydropyrido-pyridine and tetrahydropyrido-pyrimidine compounds and use thereof as C5A receptor modulators NOVARTIS AG (CH) 2016-11-29 US disclosed
US-20140349995-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS NOVARTIS AG (CH) 2014-11-27 US disclosed
US-8846656-B2 Tetrahydropyrido-pyridine and tetrahydropyrido-pyrimidine compounds and use thereof as C5a receptor modulators NOVARTIS AG (CH) 2014-09-30 US disclosed
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-20130184253-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS NOVARTIS AG (CH) 2013-07-18 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 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 (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-20140349995-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS C5AR1, C3AR1, C5AR2 OPRD1 1223/4885OPRL1 246/4885OPRM1 692/4885
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 OPRD1 1125/4885OPRL1 110/4885OPRM1 1265/4885
US-20130184253-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS C5AR1, C3AR1, C5AR2 OPRD1 1023/4885OPRL1 200/4885OPRM1 592/4885

“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.