SCHEMBL16554233

SCHEMBL16554233

CC(C)(C)N1CCC(CCC#N)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
OPRM1 P35372 2/20 0.40
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
GRIN1 Q05586 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
CCR1 P32246 10/20 0.38
SLC6A4 P31645 3/20 0.35
SLC6A3 Q01959 3/20 0.35
SLC6A2 P23975 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
CCR3 P51677 1/20 0.34
HSD11B1 P28845 1/20 0.33

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
SCHEMBL16554078 0.86 OPRM1 (0.43) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL17888483 0.85 OPRM1 (0.56) EPHX2OPRM1KCNH2SLC6A4JAK2
SCHEMBL16553797 0.82 EPHX2 (0.41) EPHX2OPRM1GRIN2DGRIN3BCHRM2
SCHEMBL28077607 0.81 EPHX2 (0.45) EPHX2OPRM1CCR1JAK2JAK1
SCHEMBL12346684 0.79 SLC6A3 (0.58) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL17886638 0.79 DRD2 (0.46) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL16565440 0.78 MEN1 (0.47) EPHX2JAK2JAK1DRD2
SCHEMBL17886622 0.76 SLC6A4 (0.41) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL16553955 0.76 DRD2 (0.47) EPHX2OPRM1KCNH2SLC6A4SLC6A3
SCHEMBL19998534 0.75 ALDH1A1 (0.41) KCNH2SLC6A4SLC6A3SLC6A2DRD2

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 8 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-9873709-B2 Triazolopyridine compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2018-01-23 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-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-08-10 US disclosed
EP-3041841-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2016-07-13 EP disclosed
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 US disclosed
WO-2015032286-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2015-03-12 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 (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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 EPHX2 1418/4885OPRM1 1787/4885GRIN2D 659/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 EPHX2 1418/4885OPRM1 1787/4885GRIN2D 659/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 EPHX2 1418/4885OPRM1 1787/4885GRIN2D 659/4885

“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.