SCHEMBL17888239

SCHEMBL17888239

CN1C(=O)C2(CCNCC2)C1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.38
CACNA1H O95180 1/20 0.37
HSD17B10 Q99714 1/20 0.37
OPRM1 P35372 1/20 0.37
SLC18A3 Q16572 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.35
TRPV1 Q8NER1 2/20 0.35
BRD4 O60885 3/20 0.35
USP2 O75604 1/20 0.35
CYP2D6 P10635 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRD1 P41143 1/20 0.35

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
SCHEMBL14058092 0.82 CYP2D6 (0.36) OPRK1HSD17B10SIGMAR1SMN1; SMN2TSHR
SCHEMBL17886562 0.82 TRPV1 (0.36) OPRK1HSD17B10OPRM1SLC18A3SIGMAR1
SCHEMBL21078095 0.81 HSD17B10 (0.37) HSD17B10OPRM1SLC18A3SIGMAR1SMN1; SMN2
SCHEMBL21788683 0.81 TRPV1 (0.37) OPRK1HSD17B10OPRM1SLC18A3SIGMAR1
SCHEMBL8202443 0.80 TRPV1 (0.49) CACNA1HHSD17B10SMN1; SMN2TSHRTRPV1
SCHEMBL24621328 0.76 TSHR (0.40) HSD17B10OPRM1SLC18A3SIGMAR1TSHR
SCHEMBL7358327 0.72 HSD11B1 (0.53) OPRK1SMN1; SMN2TSHRHTTBRD4
SCHEMBL8212506 0.72 ALDH1A1 (0.43) HSD17B10HTTTRPV1
SCHEMBL8218899 0.72 GPR119 (0.48) CACNA1HTSHRTRPV1
SCHEMBL14058463 0.72 BRD4 (0.36) OPRM1TSHRBRD4USP2CYP2D6

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-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

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-20160185780-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 OPRK1 697/4885CACNA1H 578/4885HSD17B10 3307/4885
US-20170226132-A1 TRIAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF ABL1, JAK2, JAK1 OPRK1 697/4885CACNA1H 578/4885HSD17B10 3307/4885

“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.