SCHEMBL8145308

SCHEMBL8145308

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.70
GRIN2D O15399 2/20 0.70
GRIN3B O60391 2/20 0.70
GRIN1 Q05586 2/20 0.70
KCNH2 Q12809 2/20 0.70
GRIN2A Q12879 2/20 0.70
GRIN2B Q13224 2/20 0.70
GRIN2C Q14957 2/20 0.70
GRIN3A Q8TCU5 2/20 0.70
CHRM2 P08172 1/20 0.70
CHRM1 P11229 1/20 0.70
ALDH1A1 P00352 2/20 0.47
OPRD1 P41143 4/20 0.41
DRD4 P21917 1/20 0.39
CYP2D6 P10635 1/20 0.38
SLC18A3 Q16572 1/20 0.38
OPRL1 P41146 5/20 0.37
OPRK1 P41145 3/20 0.37
CYP2B6 P20813 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL17886578 0.93 GRIN2D (0.62) OPRM1GRIN2DGRIN3BGRIN1KCNH2
SCHEMBL19998553 0.83 OPRM1 (0.49) OPRM1GRIN2DGRIN3BGRIN1KCNH2
Budipine SCHEMBL120041 0.82 OPRM1 (1.00) OPRM1GRIN2DGRIN3BGRIN1KCNH2
SCHEMBL16798542 0.81 GRIN2D (0.51) OPRM1GRIN2DGRIN3BGRIN1KCNH2
SCHEMBL16798460 0.81 OPRM1 (0.47) OPRM1GRIN2DGRIN3BGRIN1KCNH2
SCHEMBL17886630 0.81 OPRM1 (0.47) OPRM1GRIN2DGRIN3BGRIN1KCNH2
SCHEMBL2629517 0.81 OPRM1 (0.70) OPRM1GRIN2DGRIN3BGRIN1KCNH2
Budipine SCHEMBL1506558 0.81 OPRM1 (0.96) OPRM1GRIN2DGRIN3BGRIN1KCNH2
SCHEMBL16418421 0.79 OPRM1 (0.73) OPRM1GRIN2DGRIN3BGRIN1KCNH2
SCHEMBL12469662 0.79 OPRM1 (0.68) OPRM1GRIN2DGRIN3BGRIN1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11214540-B2 Compositions for treating neurodegenerative diseases COGNITION THERAPEUTICS, INC. (US) 2022-01-04 US disclosed
US-20200299234-A1 COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES COGNITION THERAPEUTICS, INC. (US) 2020-09-24 US disclosed
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-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-7884107-B2 Human Double Minute 2 (HDM2) protein inhibitors; anticancer agents MERCK (US) 2011-02-08 US disclosed
US-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof SCHERING CORPORATION 2008-01-03 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 (7 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-20080004287-A1 Substituted Piperidines that Increase P53 Activity and the Uses Thereof TP53, MDM2, TP53BP1 OPRM1 4336/4885GRIN2D 4090/4885GRIN3B 4342/4885
US-11214540-B2 Compositions for treating neurodegenerative diseases NLN, GAP43, PSEN2 OPRM1 2768/4885GRIN2D 222/4885GRIN3B 40/4885
US-20190233441-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 OPRM1 1787/4885GRIN2D 659/4885GRIN3B 991/4885
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
US-20200299234-A1 COMPOSITIONS FOR TREATING NEURODEGENERATIVE DISEASES GAP43, NLN, SNAP29 OPRM1 2398/4885GRIN2D 116/4885GRIN3B 23/4885

“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.