SCHEMBL1108886

SCHEMBL1108886

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.41
MMP8 P22894 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
HSD11B1 P28845 15/20 0.37
CYP11B2 P19099 1/20 0.36
NR1I2 O75469 2/20 0.35
HSD11B2 P80365 3/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34

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
SCHEMBL1108831 0.91 OPRM1 (0.41) OPRM1OPRD1OPRK1MMP2MMP9
SCHEMBL1108859 0.85 ALDH1A1 (0.48) OPRM1OPRD1OPRK1
SCHEMBL1108856 0.84 OPRM1 (0.41) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108877 0.83 KMT2A (0.43) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108833 0.82 OPRM1 (0.43) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108840 0.81 OPRM1 (0.39) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108829 0.81 NOTUM (0.41) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1099659 0.81 OPRM1 (0.41) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108893 0.81 HSD11B1 (0.42) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108842 0.81 GRM2 (0.42) 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 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 MMP3 90/4885MMP8 1263/4885OPRM1 4331/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 MMP3 324/4885MMP8 1492/4885OPRM1 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.