Sugi Predict

Sugi Predict / Compounds / SCHEMBL2606334

SCHEMBL2606334

SCHEMBL2606334

CC(C)(C)OC(=O)N1CCC(n2c(=O)oc3ccccc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.57
▸ CHRM4 P08173 1/20 0.49
▸ CHRM5 P08912 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ GPR119 Q8TDV5 2/20 0.49
▸ OPRM1 P35372 2/20 0.48
▸ OPRD1 P41143 2/20 0.48
▸ OGFRL1 Q5TC84 2/20 0.48
▸ CDYL Q9Y232 5/20 0.48
▸ CBX7 O95931 4/20 0.48
▸ CDYL2 Q8N8U2 4/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ CDY1; CDY1B Q9Y6F8 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ PLD1 Q13393 1/20 0.47
▸ PRKCG P05129 1/20 0.47
▸ PRKCB P05771 1/20 0.47
▸ PRKCA P17252 1/20 0.47

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
SCHEMBL27536456 0.82 HSD11B1 (0.53) HSD11B1CHRM4CHRM5CHRM1CDYL
SCHEMBL8256058 0.82 GPR119 (0.50) GPR119OPRM1OPRD1OGFRL1KDM4E
SCHEMBL2223654 0.82 CHRM2 (0.54) HSD11B1CHRM4CHRM5CHRM1GPR119
SCHEMBL24793704 0.80 ASAH1 (0.48) HSD11B1GPR119KDM4E
SCHEMBL20685539 0.80 CHRM2 (0.57) CHRM4CHRM1GPR119OPRM1OPRD1
SCHEMBL22588236 0.80 HSD11B1 (0.57) HSD11B1CHRM4CHRM5CHRM1CDYL
SCHEMBL15599600 0.80 TNKS (0.49) HSD11B1CHRM4CHRM5CHRM1OPRM1
SCHEMBL1944290 0.79 CHRM2 (0.53) HSD11B1CHRM4CHRM5CHRM1GPR119
SCHEMBL6160925 0.79 HSD11B1 (0.56) HSD11B1CHRM4CHRM1GPR119OPRM1
SCHEMBL26697988 0.78 OPRM1 (0.54) HSD11B1CHRM4CHRM1GPR119OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME GENEROS BIOPHARMA LTD. (CN) 2023-03-30 — — US disclosed
CN-111848598-A Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound 健艾仕生物医药有限公司 2020-10-30 — — CN disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 — — WO disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 — — WO disclosed
US-8252815-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2012-08-28 — — US disclosed
US-20120095049-A1 NOCICEPTIN ANALOGS PURDUE PHARMA L.P. (US) 2012-04-19 — — US disclosed
US-7939670-B2 Nociceptin analogs PURDUE PHARMA L.P. (US) 2011-05-10 — — US disclosed
CN-1982308-B Substituted pyrazoles ORTHO MCNEIL PHARM INC 2010-06-16 — — CN disclosed
EP-1598338-B9 1-(4-PIPERIDINYL)-1,3-DIHYDRO-2H-INDOLE-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS NOCICEPTIN ANALOGS AND ORL1 LIGANDS FOR THE TREATMENT OF PAIN EURO CELTIQUE SA (LU) 2009-11-18 — — EP disclosed
US-20090156640-A1 NOCICEPTIN ANALOGS EURO-CELTIQUE S.A. 2009-06-18 — — US disclosed
US-20020115656-A1 Method for treating allergies using substituted pyrazoles BUTLER CHRISTOPHER R (US) 2002-08-22 — — US disclosed
US-20020055497-A1 Method for treating allergies using substituted pyrazoles BUTLER CHRISTOPHER R (US) 2002-05-09 — — US disclosed
EP-0714299-B1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-04-24 — — EP disclosed
WO-2002020011-A2 A METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 — — WO disclosed
WO-2002014315-A2 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-21 — — WO disclosed
WO-2001044213-A1 NEW P2X7 RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF INFLAMMATORY, IMMUNE OR CARDIOVASCULAR DISEASES ASTRAZENECA AB (SE) 2001-06-21 — — WO disclosed
US-5665719-A Benzoxazinone and benzopyrimidinone piperidinyl tocolytic oxytocin receptor antagonists MERCK & CO., INC. (US) 1997-09-09 — — US disclosed
EP-0714299-A4 — — 1996-07-10 — — EP disclosed
EP-0714299-A1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-06-05 — — EP disclosed
WO-1995002405-A1 BENZOXAZINONE AND BENZOPYRIMIDINONE PIPERIDINYL TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-01-26 — — 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 (5 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-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME STAT5A, STAT5B, JAK2 HSD11B1 525/4885CHRM4 4704/4885CHRM5 4676/4885
US-20020115656-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 HSD11B1 378/4885CHRM4 1208/4885CHRM5 1514/4885
US-20090156640-A1 NOCICEPTIN ANALOGS OPRL1, NPY1R, NPBWR1 HSD11B1 2495/4885CHRM4 231/4885CHRM5 233/4885
US-20120095049-A1 NOCICEPTIN ANALOGS OPRL1, NPY1R, NPBWR1 HSD11B1 2495/4885CHRM4 231/4885CHRM5 233/4885
US-20020055497-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 HSD11B1 378/4885CHRM4 1208/4885CHRM5 1514/4885

“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.