SCHEMBL1108828

SCHEMBL1108828

Cn1c(N2CCC(C(=O)O)(c3ccccc3)CC2)nnc1C1(c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.44
KMT2A Q03164 3/20 0.44
TET3 O43151 1/20 0.44
FBXL19 Q6PCT2 1/20 0.44
CXXC5 Q7LFL8 1/20 0.44
TET1 Q8NFU7 1/20 0.44
KDM2B Q8NHM5 1/20 0.44
CXXC4 Q9H2H0 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
CYP2C19 P33261 2/20 0.43
OPRM1 P35372 4/20 0.42
OPRD1 P41143 4/20 0.42
OPRK1 P41145 3/20 0.42
SLC22A1 O15245 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
KCNH2 Q12809 1/20 0.42
MLYCD O95822 1/20 0.42
CYP1A2 P05177 1/20 0.40
HSD11B1 P28845 2/20 0.40

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
SCHEMBL1108827 0.89 KCNA3 (0.48) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL1108894 0.88 HSD11B1 (0.40) OPRM1OPRD1OPRK1ADRA1AHSD11B1
SCHEMBL1108852 0.84 OPRD1 (0.47) KMT2ACYP2C19OPRD1OPRK1CYP1A2
SCHEMBL1108884 0.83 OPRD1 (0.43) OPRM1OPRD1OPRK1HSD11B1
SCHEMBL1108865 0.83 OPRL1 (0.46) OPRM1OPRD1OPRK1HSD11B1
SCHEMBL1108829 0.83 NOTUM (0.41) KMT2ACYP2C19OPRM1OPRD1OPRK1
SCHEMBL1108895 0.83 OPRD1 (0.39) OPRM1OPRD1OPRK1ADRA1AHSD11B1
SCHEMBL1108839 0.83 HSD11B1 (0.53) OPRM1OPRD1OPRK1HSD11B1
SCHEMBL1108883 0.83 HSD11B1 (0.44) OPRM1OPRD1OPRK1KCNH2HSD11B1
SCHEMBL1108874 0.82 HSD11B1 (0.44) KMT2AOPRM1OPRD1OPRK1HSD11B1

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 AKR1C1 75/4885KMT2A 3174/4885TET3 1378/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 AKR1C1 305/4885KMT2A 3005/4885TET3 1443/4885

“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.