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Sugi Predict / Compounds / SCHEMBL1108728

SCHEMBL1108728

SCHEMBL1108728

CC(=O)N1CCC(c2ccccc2)(c2nnc(C3CCN(c4c(Cl)cncc4Cl)CC3)n2C)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 4/20 0.43
▸ OPRK1 P41145 2/20 0.43
▸ CYP3A4 P08684 1/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ USP2 O75604 2/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ AVPR1A P37288 2/20 0.36
▸ HSD11B1 P28845 3/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ AVPR2 P30518 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ SLC6A9 P48067 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL1108721 0.90 HSD11B1 (0.39) OPRD1OPRK1CYP3A4HSD11B1CYP2C19
SCHEMBL1108712 0.88 HSD11B1 (0.43) HSD11B1
SCHEMBL1108717 0.85 ADRB2 (0.41) CYP3A4HSD11B1
SCHEMBL1108708 0.84 OPRD1 (0.45) OPRD1OPRK1CYP3A4USP2HSD11B1
SCHEMBL1108706 0.82 HSD11B1 (0.44) HSD11B1CYP2C19
Hydrochloric Acid SCHEMBL1100547 0.81 HSD11B1 (0.43) CYP3A4HSD11B1CYP2C9CYP2C19
SCHEMBL1108709 0.80 CYP3A4 (0.36) OPRD1OPRK1CYP3A4HCAR2AVPR1A
SCHEMBL1108715 0.80 CYP3A4 (0.39) OPRD1CYP3A4USP2HCAR2AVPR1A
SCHEMBL1108703 0.79 CYP3A4 (0.37) OPRD1CYP3A4HCAR2AVPR1ACYP2C9
SCHEMBL1108707 0.79 CYP3A4 (0.37) OPRD1CYP3A4HCAR2AVPR1AHSD11B1

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 OPRD1 3232/4885OPRK1 2618/4885CYP3A4 63/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 OPRD1 3328/4885OPRK1 2598/4885CYP3A4 39/4885

“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.