SCHEMBL17465640

SCHEMBL17465640

COC1(c2ccccc2)CCN(C(C)(C)C)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.64
GRIN2D O15399 1/20 0.64
GRIN3B O60391 1/20 0.64
CHRM2 P08172 1/20 0.64
CHRM1 P11229 1/20 0.64
GRIN1 Q05586 1/20 0.64
KCNH2 Q12809 1/20 0.64
GRIN2A Q12879 1/20 0.64
GRIN2B Q13224 1/20 0.64
GRIN2C Q14957 1/20 0.64
GRIN3A Q8TCU5 1/20 0.64
OPRD1 P41143 10/20 0.58
OPRK1 P41145 10/20 0.58
OPRL1 P41146 8/20 0.58
HSD11B1 P28845 1/20 0.49
ALDH1A1 P00352 1/20 0.44
SCD5 Q86SK9 1/20 0.43
SCD O00767 1/20 0.38
DRD4 P21917 2/20 0.37
DRD2 P14416 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
SCHEMBL14164046 0.83 OPRM1 (0.60) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL18115504 0.82 ALDH1A1 (0.54) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL10131784 0.82 OPRM1 (0.61) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL12122918 0.80 OPRM1 (0.63) OPRM1CHRM1KCNH2OPRD1OPRK1
SCHEMBL13876257 0.79 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL21077979 0.79 OPRM1 (0.61) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL28889808 0.79 OPRM1 (0.58) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL20004024 0.78 OPRM1 (0.47) OPRM1GRIN2DGRIN3BCHRM2CHRM1
Budipine SCHEMBL120041 0.78 OPRM1 (1.00) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL11159356 0.77 OPRM1 (0.56) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 US disclosed
US-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 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-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
US-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-06-30 US disclosed
US-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 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 (4 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 1787/4885GRIN2D 659/4885GRIN3B 991/4885
US-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION HAVCR2, EIF2AK2, NR1H4 OPRM1 1187/4885GRIN2D 4089/4885GRIN3B 2533/4885
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.