SCHEMBL1108891

SCHEMBL1108891

CC(C)C1CCN(c2nnc(C3(c4ccccc4)CC3)n2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.41
OPRM1 P35372 4/20 0.40
OPRK1 P41145 2/20 0.40
OPRD1 P41143 1/20 0.40
OPRL1 P41146 4/20 0.40
ACHE P22303 2/20 0.38
HSD11B2 P80365 3/20 0.38
CYP2D6 P10635 1/20 0.38
NR1I2 O75469 1/20 0.37
DRD4 P21917 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 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 0.86 KMT2A (0.43) HSD11B1OPRM1OPRK1OPRD1HSD11B2
SCHEMBL1108833 0.85 OPRM1 (0.43) HSD11B1OPRM1OPRK1OPRD1OPRL1
SCHEMBL1108856 0.85 OPRM1 (0.41) HSD11B1OPRM1OPRK1OPRD1OPRL1
SCHEMBL1099659 0.84 OPRM1 (0.41) HSD11B1OPRM1OPRK1OPRD1HSD11B2
SCHEMBL1108837 0.83 OPRM1 (0.40) HSD11B1OPRM1OPRK1OPRD1HSD11B2
SCHEMBL1108868 0.83 OPRM1 (0.40) HSD11B1OPRM1OPRK1OPRD1HSD11B2
SCHEMBL1108840 0.82 OPRM1 (0.39) HSD11B1OPRM1OPRK1OPRD1HSD11B2
SCHEMBL1108831 0.82 OPRM1 (0.41) HSD11B1OPRM1OPRK1OPRD1HSD11B2
SCHEMBL1108829 0.82 NOTUM (0.41) HSD11B1OPRM1OPRK1OPRD1NR1I2
SCHEMBL1108839 0.82 HSD11B1 (0.53) HSD11B1OPRM1OPRK1OPRD1HSD11B2

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 1/4885OPRM1 4331/4885OPRK1 2618/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 HSD11B1 41/4885OPRM1 4060/4885OPRK1 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.