SCHEMBL1108864

SCHEMBL1108864

Cn1c(N2CCC(Oc3ccc(Cl)cn3)CC2)nnc1C1(c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 15/20 0.42
OXTR P30559 2/20 0.41
AVPR1A P37288 2/20 0.41
FPR2 P25090 1/20 0.41
PROKR1 Q8TCW9 1/20 0.41
NR1I2 O75469 4/20 0.39
MMP1 P03956 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL1108860 0.86 HSD11B1 (0.57) HSD11B1NR1I2
SCHEMBL13436648 0.86 HSD11B1 (0.39) HSD11B1NR1I2OPRM1OPRD1OPRK1
SCHEMBL1108898 0.83 HSD11B1 (0.43) HSD11B1FPR2PROKR1NR1I2
SCHEMBL1108910 0.82 HSD11B1 (0.39) HSD11B1OXTRAVPR1ANR1I2OPRM1
SCHEMBL1108905 0.82 HSD11B1 (0.42) HSD11B1NR1I2
SCHEMBL1108854 0.82 SCD (0.50) HSD11B1NR1I2
SCHEMBL1108911 0.82 HSD11B1 (0.40) HSD11B1NR1I2OPRM1OPRD1OPRK1
SCHEMBL1108857 0.81 HSD11B1 (0.46) HSD11B1NR1I2
SCHEMBL1108863 0.81 SCD (0.40) HSD11B1NR1I2OPRM1OPRD1OPRK1
SCHEMBL1108868 0.80 OPRM1 (0.40) HSD11B1OXTRAVPR1ANR1I2OPRM1

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 1/4885OXTR 4054/4885AVPR1A 1852/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 HSD11B1 41/4885OXTR 3320/4885AVPR1A 2351/4885

“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.