SCHEMBL19220901

SCHEMBL19220901

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
GRIN1 Q05586 1/20 0.44
KCNH2 Q12809 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
MCHR1 Q99705 1/20 0.36
OPRK1 P41145 3/20 0.36
OPRL1 P41146 3/20 0.36
OPRD1 P41143 2/20 0.36
CCR1 P32246 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL19220897 0.88 OPRM1 (0.41) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL17886638 0.86 DRD2 (0.46) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL19220896 0.84 OPRM1 (0.41) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL19220899 0.84 GRIN2D (0.47) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL17886620 0.83 SLC6A4 (0.42) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL17886628 0.82 GRIN2D (0.40) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL17888243 0.81 OPRM1 (0.50) OPRM1MCHR1
SCHEMBL19998549 0.81 OPRM1 (0.41) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL19220900 0.81 GRIN2D (0.39) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL17886539 0.81 OPRM1 (0.42) OPRM1GRIN2DGRIN3BCHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20180086757-A1 TRIAZOLOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK1, JAK2, JAK3 OPRM1 697/4885GRIN2D 1456/4885GRIN3B 1935/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 OPRM1 1787/4885GRIN2D 659/4885GRIN3B 991/4885

“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.