SCHEMBL20004189

SCHEMBL20004189

CCOC(=O)N1CCC(C=O)(c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.54
OPRD1 P41143 7/20 0.50
OPRM1 P35372 6/20 0.50
OPRK1 P41145 5/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
SLC22A1 O15245 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
KCNH2 Q12809 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL8824371 0.89 OPRD1 (0.54) APPOPRD1OPRM1OPRK1MAPT
SCHEMBL13689912 0.86 MEN1 (0.56) OPRD1OPRK1L3MBTL1
SCHEMBL21581202 0.82 OPRD1 (0.63) APPOPRD1OPRM1OPRK1MAPT
SCHEMBL442118 0.82 TSHR (0.54) OPRD1OPRK1TSHRKDM4E
SCHEMBL12162991 0.81 USP2 (0.53) OPRD1OPRM1OPRK1TSHRGAA
SCHEMBL3531048 0.81 KMT2A (0.45) OPRM1TSHRALDH1A1
SCHEMBL22874143 0.80 APP (0.56) APPOPRD1OPRM1OPRK1MAPT
SCHEMBL14348178 0.79 LMNA (0.41) APPOPRD1OPRM1OPRK1MAPT
SCHEMBL20004190 0.79 HSD11B1 (0.60) APPOPRD1OPRM1OPRK1MAPT
SCHEMBL11624342 0.78 APP (0.52) APPOPRD1OPRM1OPRK1MAPT

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 APP 3260/4885OPRD1 709/4885OPRM1 697/4885

“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.