SCHEMBL8026713

SCHEMBL8026713

Cc1ccc(C2(O)CCN(C(C)(C)C)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.54
OPRK1 P41145 6/20 0.54
OPRL1 P41146 6/20 0.54
OPRD1 P41143 5/20 0.54
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
GRIN1 Q05586 1/20 0.49
KCNH2 Q12809 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
DRD2 P14416 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.40
CCR1 P32246 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL24421698 0.85 OPRM1 (0.49) OPRM1OPRK1OPRL1OPRD1GRIN2D
SCHEMBL15543779 0.84 MAPT (0.55) OPRM1OPRK1OPRL1OPRD1DRD2
SCHEMBL8261415 0.84 OPRM1 (0.53) OPRM1OPRK1OPRL1OPRD1GRIN2D
SCHEMBL15531149 0.84 OPRM1 (0.51) OPRM1OPRK1OPRL1OPRD1GRIN2D
SCHEMBL16936710 0.84 OPRM1 (0.53) OPRM1OPRK1OPRL1OPRD1GRIN2D
SCHEMBL2629517 0.83 OPRM1 (0.70) OPRM1OPRK1OPRL1OPRD1GRIN2D
SCHEMBL19998553 0.81 OPRM1 (0.49) OPRM1OPRK1OPRL1OPRD1GRIN2D
SCHEMBL10424458 0.81 OPRM1 (0.57) OPRM1OPRK1OPRL1OPRD1KCNH2
SCHEMBL17886542 0.81 OPRM1 (0.46) OPRM1OPRK1OPRL1OPRD1GRIN2D
SCHEMBL19226368 0.81 OPRM1 (0.58) OPRM1OPRK1OPRL1OPRD1GRIN2D

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 7 patents. 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
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 US disclosed
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-03-29 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
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 US disclosed
US-20080085893-A1 MATRIX METALLOPROTEASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-04-10 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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 OPRM1 1787/4885OPRK1 697/4885OPRL1 1996/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 OPRM1 1787/4885OPRK1 697/4885OPRL1 1996/4885
US-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 OPRM1 697/4885OPRK1 283/4885OPRL1 1068/4885
US-20080085893-A1 MATRIX METALLOPROTEASE INHIBITORS MMP3, MMP7, MMP9 OPRM1 3221/4885OPRK1 3609/4885OPRL1 2773/4885
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.