SCHEMBL1099659

SCHEMBL1099659

Cn1c(N2CCC(c3ccccc3)CC2)nnc1C1(c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
HSD11B1 P28845 7/20 0.40
DRD2 P14416 2/20 0.40
NR1I2 O75469 1/20 0.38
GRM2 Q14416 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
SLC18A3 Q16572 2/20 0.37
NR3C1 P04150 1/20 0.37
HSD11B2 P80365 3/20 0.36
DHFR P00374 1/20 0.36

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
SCHEMBL1108877 0.87 KMT2A (0.43) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108856 0.86 OPRM1 (0.41) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108833 0.86 OPRM1 (0.43) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108837 0.84 OPRM1 (0.40) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108891 0.84 HSD11B1 (0.41) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108868 0.84 OPRM1 (0.40) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108831 0.83 OPRM1 (0.41) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108829 0.83 NOTUM (0.41) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108840 0.83 OPRM1 (0.39) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108839 0.83 HSD11B1 (0.53) OPRM1OPRD1OPRK1HSD11B1NR1I2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153631-B2 Triazole compounds and uses related thereto AMGEN INC. (US) 2012-04-10 US disclosed
US-8153631-B2 Triazole compounds and uses related thereto AMGEN INC. (US) 2012-04-10 US disclosed
US-8153631-B2 Triazole compounds and uses related thereto AMGEN INC. (US) 2012-04-10 US disclosed
US-7683059-B2 Triazole compounds and uses related thereto AMGEN INC. (US) 2010-03-23 US disclosed
US-7683059-B2 Triazole compounds and uses related thereto AMGEN INC. (US) 2010-03-23 US disclosed
US-7683059-B2 Triazole compounds and uses related thereto AMGEN INC. (US) 2010-03-23 US disclosed
US-20100062972-A1 TRIAZOLE COMPOUNDS AND USES RELATED THERETO AMGEN INC. 2010-03-11 US disclosed
US-20100062972-A1 TRIAZOLE COMPOUNDS AND USES RELATED THERETO AMGEN INC. 2010-03-11 US disclosed
US-20100062972-A1 TRIAZOLE COMPOUNDS AND USES RELATED THERETO AMGEN INC. 2010-03-11 US disclosed
US-20080249084-A1 Triazole Compounds and Uses Related Thereto AMGEN SF LLC 2008-10-09 US disclosed
US-20080249084-A1 Triazole Compounds and Uses Related Thereto AMGEN SF LLC 2008-10-09 US disclosed
US-20080249084-A1 Triazole Compounds and Uses Related Thereto AMGEN SF LLC 2008-10-09 US disclosed
EP-1680114-A4 TRIAZOLE COMPOUNDS AND USES RELATED THERETO AMGEN INC (US) 2008-09-24 EP disclosed
EP-1680114-A2 TRIAZOLE COMPOUNDS AND USES RELATED THERETO Amgen Inc. (US) 2006-07-19 EP disclosed
WO-2005044192-A2 TRIAZOLE COMPOUNDS AND USES RELATED THERETO AMGEN INC. (US) 2005-05-19 WO 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-20100062972-A1 TRIAZOLE COMPOUNDS AND USES RELATED THERETO HSD11B1, HSD17B1, HSD17B3 OPRM1 4331/4885OPRD1 3232/4885OPRK1 2618/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 OPRM1 4060/4885OPRD1 3328/4885OPRK1 2598/4885

“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.