SCHEMBL20003963

SCHEMBL20003963

CC(C)(C)N1CCCC(O)(c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.62
GRIN2D O15399 1/20 0.62
GRIN3B O60391 1/20 0.62
CHRM2 P08172 1/20 0.62
CHRM1 P11229 1/20 0.62
GRIN1 Q05586 1/20 0.62
KCNH2 Q12809 1/20 0.62
GRIN2A Q12879 1/20 0.62
GRIN2B Q13224 1/20 0.62
GRIN2C Q14957 1/20 0.62
GRIN3A Q8TCU5 1/20 0.62
HSD11B1 P28845 4/20 0.53
OPRL1 P41146 11/20 0.50
OPRK1 P41145 10/20 0.50
OPRD1 P41143 9/20 0.50
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL2629517 0.93 OPRM1 (0.70) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL12363963 0.89 OPRM1 (0.51) OPRM1GRIN2DGRIN3BCHRM2CHRM1
Hydrochloric Acid SCHEMBL10752401 0.87 OPRM1 (0.50) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL24422207 0.85 OPRM1 (0.59) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL17886578 0.80 GRIN2D (0.62) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL17888202 0.79 OPRL1 (0.53) OPRM1HSD11B1OPRL1OPRK1OPRD1
SCHEMBL8026713 0.77 OPRM1 (0.54) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL24421698 0.77 OPRM1 (0.49) OPRM1GRIN2DGRIN3BCHRM2CHRM1
Budipine SCHEMBL120041 0.77 OPRM1 (1.00) OPRM1GRIN2DGRIN3BCHRM2CHRM1
SCHEMBL18115648 0.77 ALDH1A1 (0.58) 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 2 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

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-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

“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.