SCHEMBL20004190

SCHEMBL20004190

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

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.60
APP P05067 4/20 0.55
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.51
LMNA P02545 1/20 0.51
OPRD1 P41143 6/20 0.51
OPRK1 P41145 5/20 0.51
OPRM1 P35372 5/20 0.51
SLC22A1 O15245 1/20 0.50
SLC6A4 P31645 1/20 0.50
ADRA1A P35348 1/20 0.50
KCNH2 Q12809 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL5592248 0.88 OPRD1 (0.55) HSD11B1APPMAPTTSHRLMNA
SCHEMBL5361656 0.86 HSD11B1 (0.58) HSD11B1OPRD1OPRK1L3MBTL1
SCHEMBL21581202 0.84 OPRD1 (0.63) APPMAPTTSHROPRD1OPRK1
SCHEMBL2270783 0.83 TACR1 (0.61) HSD11B1TSHROPRD1OPRK1
SCHEMBL2425376 0.82 HSD11B1 (0.58) HSD11B1OPRM1
SCHEMBL22874143 0.81 APP (0.56) APPMAPTTSHROPRD1OPRK1
SCHEMBL13059778 0.80 MEN1 (0.56) APPOPRD1OPRK1OPRM1L3MBTL1
SCHEMBL20004189 0.79 APP (0.54) APPMAPTTSHROPRD1OPRK1
SCHEMBL13059779 0.78 CYP3A4 (0.56) HSD11B1APPTSHROPRD1OPRM1
SCHEMBL11159629 0.78 APP (0.55) APPMAPTTSHROPRD1OPRK1

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 HSD11B1 3216/4885APP 3260/4885MAPT 731/4885

“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.