Sugi Predict

Sugi Predict / Compounds / SCHEMBL1108871

SCHEMBL1108871

SCHEMBL1108871

Cn1c(N2CCC(Oc3cccc(C(=O)O)c3)CC2)nnc1C1(c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 7/20 0.43
▸ KCNH2 Q12809 5/20 0.43
▸ SLC5A7 Q9GZV3 1/20 0.40
▸ HRH1 P35367 2/20 0.40
▸ CCR3 P51677 2/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ AXL P30530 1/20 0.39
▸ TYRO3 Q06418 1/20 0.39
▸ MERTK Q12866 1/20 0.39
▸ EPHX2 P34913 2/20 0.39
▸ KAT6A Q92794 1/20 0.39
▸ SCD O00767 1/20 0.39
▸ NR1I2 O75469 1/20 0.38
▸ HSD11B1 P28845 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ WNT1 P04628 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37

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
SCHEMBL1108880 0.93 OPRK1 (0.52) OPRK1KCNH2OPRM1
SCHEMBL1108873 0.92 EPHX2 (0.41) OPRK1KCNH2SLC5A7CCR3OPRM1
SCHEMBL1108881 0.91 SCN9A (0.48) OPRK1KCNH2SLC5A7AXLTYRO3
SCHEMBL1108882 0.91 OPRK1 (0.41) OPRK1KCNH2SLC5A7OPRM1AXL
SCHEMBL1108869 0.90 SRD5A1 (0.47) KCNH2SLC5A7HRH1CCR3EPHX2
SCHEMBL1108879 0.85 OPRK1 (0.39) OPRK1KCNH2SLC5A7HRH1OPRM1
SCHEMBL1108889 0.85 HRH1 (0.44) KCNH2HRH1CCR3NR1I2HSD11B1
SCHEMBL1108870 0.83 HSD11B1 (0.41) OPRK1SLC5A7OPRM1AXLTYRO3
SCHEMBL1108872 0.82 SCN1A (0.38) EPHX2SCDNR1I2HSD11B1
SCHEMBL1108890 0.81 HSD11B1 (0.40) OPRK1KCNH2HRH1CCR3HSD11B1

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 OPRK1 2618/4885KCNH2 4172/4885SLC5A7 537/4885
US-20080249084-A1 Triazole Compounds and Uses Related Thereto GPR119, CYP11B2, CYP11B1 OPRK1 2598/4885KCNH2 3336/4885SLC5A7 261/4885

“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.