SCHEMBL1108910

SCHEMBL1108910

Cn1c(N2CCC(Oc3c(Cl)cncc3Cl)CC2)nnc1C1(c2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 14/20 0.39
SCD O00767 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
NR1I2 O75469 5/20 0.36
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 0.36
SLC6A9 P48067 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
SCHEMBL1108911 0.92 HSD11B1 (0.40) HSD11B1SCDOPRM1OPRD1OPRK1
SCHEMBL1108854 0.86 SCD (0.50) HSD11B1SCDNR1I2
SCHEMBL1108868 0.84 OPRM1 (0.40) HSD11B1OPRM1OPRD1OPRK1NR1I2
SCHEMBL1108860 0.84 HSD11B1 (0.57) HSD11B1NR1I2
SCHEMBL13436648 0.83 HSD11B1 (0.39) HSD11B1OPRM1OPRD1OPRK1NR1I2
SCHEMBL1108898 0.82 HSD11B1 (0.43) HSD11B1SCDNR1I2
SCHEMBL1108864 0.82 HSD11B1 (0.42) HSD11B1OPRM1OPRD1OPRK1NR1I2
SCHEMBL1108863 0.82 SCD (0.40) HSD11B1SCDOPRM1OPRD1OPRK1
SCHEMBL1108861 0.81 SCD (0.43) HSD11B1SCDNR1I2OXTRAVPR1A
SCHEMBL1108905 0.80 HSD11B1 (0.42) HSD11B1NR1I2

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 HSD11B1 1/4885SCD 238/4885OPRM1 4331/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 HSD11B1 41/4885SCD 1202/4885OPRM1 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.