SCHEMBL1108840

SCHEMBL1108840

Cn1c(N2CCC(C(F)(F)F)CC2)nnc1C1(c2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
HSD11B1 P28845 16/20 0.38
PTPN11 Q06124 1/20 0.38
NR1I2 O75469 1/20 0.37
HSD11B2 P80365 3/20 0.35
DRD4 P21917 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
GRIN1 Q05586 1/20 0.34
KCNH2 Q12809 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 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
SCHEMBL1108877 0.85 KMT2A (0.43) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108833 0.84 OPRM1 (0.43) OPRM1OPRD1OPRK1HSD11B1PTPN11
SCHEMBL1108856 0.84 OPRM1 (0.41) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1099659 0.83 OPRM1 (0.41) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108837 0.82 OPRM1 (0.40) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108891 0.82 HSD11B1 (0.41) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108868 0.82 OPRM1 (0.40) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108886 0.81 MMP3 (0.41) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108829 0.81 NOTUM (0.41) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108831 0.81 OPRM1 (0.41) 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 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.