Sugi Predict

Sugi Predict / Compounds / SCHEMBL615737

SCHEMBL615737

SCHEMBL615737

N#Cc1ccc(C2=CCC3(CC2)OCCO3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 4/20 0.39
▸ IKBKE Q14164 1/20 0.38
▸ SUV39H2 Q9H5I1 2/20 0.35
▸ MMP3 P08254 1/20 0.34
▸ AR P10275 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ KIF11 P52732 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ PTGS2 P35354 1/20 0.31
▸ HRH2 P25021 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ CTSC P53634 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ LTB4R Q15722 1/20 0.30
▸ LTB4R2 Q9NPC1 1/20 0.30
▸ CA12 O43570 1/20 0.30

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
SCHEMBL14403246 0.87 TBK1 (0.43) TBK1IKBKESUV39H2
SCHEMBL13804695 0.84 CLK4 (0.38) TBK1IKBKESUV39H2NOTUM
SCHEMBL612793 0.81 TBK1 (0.36) TBK1IKBKESUV39H2
SCHEMBL22047781 0.80 TBK1 (0.39) TBK1IKBKESUV39H2
SCHEMBL633835 0.80 TBK1 (0.38) TBK1IKBKESUV39H2
SCHEMBL14117573 0.79 TBK1 (0.39) TBK1IKBKESUV39H2ALDH1A1PTGS2
SCHEMBL745424 0.79 TBK1 (0.39) TBK1IKBKESUV39H2PTGS2
SCHEMBL13832397 0.79 SUV39H2 (0.41) TBK1IKBKESUV39H2ALDH1A1HSD17B10
SCHEMBL2384758 0.79 HTR2C (0.40) TBK1IKBKESUV39H2
SCHEMBL12208682 0.78 IKBKE (0.41) TBK1IKBKESUV39H2ALDH1A1

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365533-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2023-11-16 — — US disclosed
US-20230365533-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2023-11-16 — — US disclosed
US-20230365533-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2023-11-16 — — US disclosed
EP-4200295-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2023-06-28 — — EP disclosed
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2023-06-20 — — US disclosed
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2023-06-20 — — US disclosed
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2023-06-20 — — US disclosed
US-20220056017-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-02-24 — — US disclosed
WO-2022040070-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-02-24 — — WO disclosed
EP-2419419-B1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-03 — — EP disclosed
US-7605289-B2 Benzamide derivatives and uses related thereto AMGEN, INC. (US) 2009-10-20 — — US disclosed
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors INCYTE CORPORATION 2009-10-01 — — US disclosed
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors INCYTE CORPORATION 2009-10-01 — — US disclosed
EP-1904435-A2 BENZAMIDE DERIVATIVES AND USES RELATED THERETO Amgen Inc. (US) 2008-04-02 — — EP disclosed
EP-1565436-A4 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2007-07-18 — — EP disclosed
WO-2006138508-A2 BENZAMIDE DERIVATIVES AND USES RELATED THERETO AMGEN INC. (US) 2006-12-28 — — WO disclosed
US-20060293392-A1 Benzamide derivatives and uses related thereto AMGEN INC. 2006-12-28 — — US disclosed
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors INCYTE HOLDINGS CORPORATION 2006-11-09 — — US disclosed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 — — EP disclosed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 — — WO 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 (6 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-20230365533-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, CRHR1 TBK1 4616/4885IKBKE 2741/4885SUV39H2 1074/4885
US-20060252751-A1 3-Aminopyrrolidine derivaties as modulators of chemokine receptors CCR2, CXCR3, CCR5 TBK1 1729/4885IKBKE 2155/4885SUV39H2 3354/4885
US-11680060-B2 Bicycloheptane pyrrolidine orexin receptor agonists HCRTR1, HCRTR2, CRHR1 TBK1 4555/4885IKBKE 3067/4885SUV39H2 922/4885
US-20090247474-A1 3-Aminopyrrolidine Derivatives As Modulators Of Chemokine Receptors CCR2, CXCR3, CCR5 TBK1 1893/4885IKBKE 2120/4885SUV39H2 3184/4885
US-20220056017-A1 BICYCLOHEPTANE PYRROLIDINE OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, CRHR1 TBK1 4555/4885IKBKE 3067/4885SUV39H2 922/4885
US-20060293392-A1 Benzamide derivatives and uses related thereto GPR119, GLP1R, UGT2B7 TBK1 2118/4885IKBKE 2696/4885SUV39H2 518/4885

“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.