Sugi Predict

Sugi Predict / Compounds / SCHEMBL1108868

SCHEMBL1108868

SCHEMBL1108868

COC1CCN(c2nnc(C3(c4ccccc4)CC3)n2C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ DPP4 P27487 1/20 0.39
▸ HSD11B1 P28845 12/20 0.39
▸ NR1I2 O75469 1/20 0.37
▸ HSD11B2 P80365 3/20 0.36
▸ DRD4 P21917 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ DRD1 P21728 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35

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) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108833 0.85 OPRM1 (0.43) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108856 0.85 OPRM1 (0.41) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1099659 0.84 OPRM1 (0.41) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108910 0.84 HSD11B1 (0.39) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108854 0.83 SCD (0.50) HSD11B1NR1I2
SCHEMBL1108876 0.83 HSD11B1 (0.45) OPRM1OPRD1OPRK1HSD11B1HTR1A
SCHEMBL1108860 0.83 HSD11B1 (0.57) HSD11B1NR1I2
SCHEMBL1108911 0.83 HSD11B1 (0.40) OPRM1OPRD1OPRK1HSD11B1NR1I2
SCHEMBL1108837 0.83 OPRM1 (0.40) OPRM1OPRD1OPRK1HSD11B1NR1I2

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 OPRM1 4331/4885OPRD1 3232/4885OPRK1 2618/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 OPRM1 4060/4885OPRD1 3328/4885OPRK1 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.