SCHEMBL1108786

SCHEMBL1108786

Cn1c(C2CCN(Cc3c(Cl)cccc3Cl)CC2)nnc1C1(c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD11B1 P28845 6/20 0.40
SIGMAR1 Q99720 1/20 0.38
OPRD1 P41143 4/20 0.38
OPRM1 P35372 3/20 0.38
OPRK1 P41145 3/20 0.38
NR1I2 O75469 1/20 0.38
CYP2A13 Q16696 1/20 0.37
OPRL1 P41146 2/20 0.36
POLB P06746 1/20 0.36
CXCR4 P61073 1/20 0.36

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
SCHEMBL1108710 0.84 MEN1 (0.49) ALDH1A1KDM4EHSD11B1SIGMAR1NR1I2
SCHEMBL13436671 0.81 KDM4E (0.50) ALDH1A1KDM4EHSD11B1OPRD1OPRM1
SCHEMBL1108716 0.79 MALT1 (0.44) HSD11B1OPRD1OPRM1OPRK1NR1I2
SCHEMBL1108721 0.78 HSD11B1 (0.39) HSD11B1OPRD1OPRM1OPRK1NR1I2
SCHEMBL1108790 0.77 HSD11B1 (0.46) ALDH1A1HSD11B1NR1I2
SCHEMBL1108702 0.76 HSD11B1 (0.43) HSD11B1NR1I2
SCHEMBL1108714 0.75 MEN1 (0.45) HSD11B1SIGMAR1OPRM1NR1I2
SCHEMBL1108708 0.75 OPRD1 (0.45) ALDH1A1KDM4EHSD11B1OPRD1OPRK1
SCHEMBL1108796 0.74 ALDH1A1 (0.43) ALDH1A1HSD11B1OPRD1NR1I2POLB
SCHEMBL1108791 0.74 ALDH1A1 (0.40) ALDH1A1HSD11B1NR1I2

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 ALDH1A1 169/4885KDM4E 3417/4885HSD11B1 1/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 ALDH1A1 525/4885KDM4E 3353/4885HSD11B1 41/4885

“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.