SCHEMBL613551

SCHEMBL613551

COC1(c2ccccc2)CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.55
OPRK1 P41145 2/20 0.51
OPRL1 P41146 2/20 0.51
OPRD1 P41143 1/20 0.51
HTR2A P28223 1/20 0.47
TACR1 P25103 4/20 0.44
SIGMAR1 Q99720 2/20 0.42
AKT2 P31751 1/20 0.41
TSHR P16473 1/20 0.39
DRD2 P14416 1/20 0.38
HSD11B1 P28845 1/20 0.38
SCD5 Q86SK9 1/20 0.38
USP2 O75604 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
Hydrochloric Acid SCHEMBL2420658 0.98 OPRM1 (0.53) OPRM1OPRK1OPRL1OPRD1HTR2A
SCHEMBL2423427 0.89 HTR2A (0.53) OPRM1OPRK1OPRL1OPRD1HTR2A
Hydrochloric Acid SCHEMBL23705827 0.87 HTR2A (0.52) OPRM1OPRK1OPRL1OPRD1HTR2A
SCHEMBL13876257 0.85 OPRM1 (0.59) OPRM1OPRK1OPRL1OPRD1HSD11B1
SCHEMBL14899046 0.81 OPRM1 (0.56) OPRM1OPRK1OPRL1OPRD1HSD11B1
SCHEMBL10821867 0.81 OPRM1 (0.56) OPRM1OPRK1OPRL1OPRD1HSD11B1
SCHEMBL186851 0.81 DRD2 (0.55) OPRM1OPRK1OPRL1OPRD1SIGMAR1
SCHEMBL28818447 0.81 OPRM1 (0.35) OPRM1OPRK1OPRL1OPRD1SIGMAR1
SCHEMBL19458949 0.81 MMP2 (0.35) OPRM1OPRK1OPRL1OPRD1TACR1
SCHEMBL8166976 0.80 OPRM1 (0.55) OPRM1HTR2ATACR1AKT2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2019-08-01 US disclosed
EP-3041841-B1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2019-06-05 EP disclosed
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 US disclosed
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
EP-2794565-B1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS INC (US) 2017-07-26 EP disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
EP-2477983-B1 (4-PHENYL-PIPERIDIN-1-YL)-[5-1H-PYRAZOL-4YL)-THIOPHEN-3-YL]-METHANONE COMPOUNDS AND THEIR USE UNIV EDINBURGH (GB) 2015-04-15 EP disclosed
US-20150025057-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2015-01-22 US disclosed
WO-2007014851-A2 INDOL-3-YL-CARBONYL-PIPERIDIN AND PIPERAZIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-02-08 WO disclosed
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives HOFFMANN-LA ROCHE INC. 2007-02-01 US disclosed
EP-0937715-B1 TETRAHYDROBENZINDOLE COMPOUNDS MEIJI SEIKA KAISHA (JP) 2005-06-01 EP disclosed
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
US-6355642-B1 PSYCHOLOGICAL DISORDERS AND BRAIN DISORDERS MEIJI SEIKA KAISHA, LTD. (JP) 2002-03-12 US disclosed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 WO disclosed
EP-0937715-A1 TETRAHYDROBENZINDOLE COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1999-08-25 EP disclosed
US-4061760-A Method for using 3-substituted-5-phenyl-5-pyridyl hydantoins as antiarrhythmic agents MILES LABORATORIES, INC. (US) 1977-12-06 US disclosed
US-3994904-A 3-Substituted -5-phenyl-5-pyridyl hydantoins MILES LABORATORIES, INC. (US) 1976-11-30 US 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 (5 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-20150025057-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 OPRM1 4/4885OPRK1 1/4885OPRL1 3/4885
US-20070027163-A1 Indol-3-y-carbonyl-piperidin and piperazin-derivatives AVPR1A, AVPR2, OXTR OPRM1 34/4885OPRK1 11/4885OPRL1 8/4885
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR OPRM1 85/4885OPRK1 13/4885OPRL1 10/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 OPRM1 1787/4885OPRK1 697/4885OPRL1 1996/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 OPRM1 1787/4885OPRK1 697/4885OPRL1 1996/4885

“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.