SCHEMBL20004024

SCHEMBL20004024

COC1(c2ccccc2)CCN(C(C)(C)CCC(C)(C)N2CCC(C)(O)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.47
OPRD1 P41143 8/20 0.47
OPRK1 P41145 8/20 0.47
OPRL1 P41146 5/20 0.47
HSD11B1 P28845 1/20 0.41
CHRM2 P08172 2/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
CHRM1 P11229 1/20 0.40
GRIN1 Q05586 1/20 0.40
KCNH2 Q12809 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
SCD5 Q86SK9 1/20 0.39
SCD O00767 1/20 0.37
CHRM3 P20309 1/20 0.34
ALOX5 P09917 2/20 0.34
DRD2 P14416 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
SCHEMBL17465640 0.78 OPRM1 (0.64) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL12122918 0.70 OPRM1 (0.63) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL18701649 0.70 SCD5 (0.53) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL10819396 0.69 OPRM1 (0.58) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL13876257 0.69 OPRM1 (0.59) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL21077979 0.69 OPRM1 (0.61) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL11683633 0.68 OPRM1 (0.56) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL17220377 0.68 SCD5 (0.57) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL1513657 0.68 TSHR (0.55) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL18711613 0.67 SCD5 (0.56) OPRM1OPRD1OPRK1OPRL1HSD11B1

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 1 patent. 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

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

For each of this compound's patents that has machine-readable text (1 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 697/4885OPRD1 709/4885OPRK1 283/4885

“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.