SCHEMBL1108895

SCHEMBL1108895

Cn1c(N2CCC(C)(C(N)=O)CC2)nnc1C1(c2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 7/20 0.39
OPRK1 P41145 6/20 0.39
OPRM1 P35372 3/20 0.39
HSD11B1 P28845 8/20 0.38
DRD4 P21917 1/20 0.38
NR1I2 O75469 1/20 0.37
ADRA1A P35348 1/20 0.37
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 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
SCHEMBL1108894 0.90 HSD11B1 (0.40) OPRD1OPRK1OPRM1HSD11B1DRD4
SCHEMBL1108892 0.86 MEN1 (0.39) OPRD1OPRK1OPRM1HSD11B1NR1I2
SCHEMBL1108841 0.84 ALDH1A1 (0.49) OPRD1OPRK1OPRM1
SCHEMBL1108884 0.84 OPRD1 (0.43) OPRD1OPRK1OPRM1HSD11B1DRD4
SCHEMBL1108883 0.83 HSD11B1 (0.44) OPRD1OPRK1OPRM1HSD11B1DRD4
SCHEMBL1108828 0.83 AKR1C1 (0.44) OPRD1OPRK1OPRM1HSD11B1ADRA1A
SCHEMBL1108852 0.82 OPRD1 (0.47) OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108865 0.81 OPRL1 (0.46) OPRD1OPRK1OPRM1HSD11B1
SCHEMBL1108829 0.81 NOTUM (0.41) OPRD1OPRK1OPRM1HSD11B1NR1I2
SCHEMBL1108839 0.81 HSD11B1 (0.53) OPRD1OPRK1OPRM1HSD11B1DRD4

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 8 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-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-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

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 OPRD1 3232/4885OPRK1 2618/4885OPRM1 4331/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 OPRD1 3328/4885OPRK1 2598/4885OPRM1 4060/4885

“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.