Sugi Predict

Sugi Predict / Compounds / SCHEMBL2976277

SCHEMBL2976277

SCHEMBL2976277

CC(C)(C)OC(=O)N1CCN(c2noc3ccccc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 2/20 0.52
▸ KIT P10721 1/20 0.50
▸ BACE1 P56817 1/20 0.48
▸ SMARCA2 P51531 1/20 0.47
▸ SMARCA4 P51532 1/20 0.47
▸ PBRM1 Q86U86 1/20 0.47
▸ CKS1B P61024 1/20 0.47
▸ SKP1 P63208 1/20 0.47
▸ SKP2 Q13309 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ CHRM4 P08173 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ CHRM3 P20309 1/20 0.47
▸ DRD2 P14416 2/20 0.47
▸ DRD4 P21917 2/20 0.47
▸ SIGMAR1 Q99720 2/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HTR7 P34969 1/20 0.47
▸ SORD Q00796 2/20 0.47
▸ TNKS O95271 1/20 0.46

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
SCHEMBL1987388 0.85 GBA1 (0.51) GBA1KITCKS1BSKP1SKP2
SCHEMBL30546116 0.84 BACE1 (0.49) GBA1KITBACE1SMARCA2SMARCA4
SCHEMBL1964625 0.84 KIT (0.47) GBA1KITSMARCA2SMARCA4PBRM1
SCHEMBL21274172 0.84 BACE1 (0.49) GBA1KITBACE1SMARCA2SMARCA4
SCHEMBL3523914 0.84 BACE1 (0.49) GBA1KITBACE1SMARCA2SMARCA4
SCHEMBL26123863 0.82 KIT (0.46) GBA1KITBACE1SMARCA2SMARCA4
SCHEMBL30546252 0.82 KIT (0.43) GBA1KITBACE1SMARCA2SMARCA4
SCHEMBL26124354 0.82 KIT (0.43) GBA1KITBACE1SMARCA2SMARCA4
SCHEMBL26120088 0.82 KIT (0.43) GBA1KITBACE1SMARCA2SMARCA4
SCHEMBL26126469 0.82 KIT (0.46) GBA1KITBACE1SMARCA2SMARCA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975071-B2 Inhibitors of KRAS G12C mutant proteins ARAXES PHARMA LLC (US) 2021-04-13 — — US disclosed
US-20190092767-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS ARAXES PHARMA LLC 2019-03-28 — — US disclosed
US-7858630-B2 D3 and 5-HT2A receptor modulators HOFFMANN-LA ROCHE INC. (US) 2010-12-28 — — US disclosed
US-7858630-B2 D3 and 5-HT2A receptor modulators HOFFMANN-LA ROCHE INC. (US) 2010-12-28 — — US disclosed
US-7772236-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2010-08-10 — — US disclosed
US-20100075983-A1 D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN-LA ROCHE, INC. 2010-03-25 — — US disclosed
US-20100075983-A1 D3 AND 5-HT2A RECEPTOR MODULATORS HOFFMANN-LA ROCHE, INC. 2010-03-25 — — US disclosed
US-7589202-B2 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2009-09-15 — — US disclosed
US-20080300255-A1 Substituted pyrazoles BEAVERS MARY PAT 2008-12-04 — — US disclosed
US-20080293732-A1 Substituted pyrazoles BEAVERS MARY PAT 2008-11-27 — — US disclosed
US-20070004738-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2007-01-04 — — US disclosed
US-20070004754-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2007-01-04 — — US disclosed
EP-1315491-B1 USE OF SUBSTITUTED PYRAZOLES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF ALLERGIES ORTHO MCNEIL PHARM INC (US) 2006-08-09 — — EP disclosed
EP-1315491-A2 METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-06-04 — — EP disclosed
EP-1309591-A2 SUBSTITUTED PYRAZOLES Ortho-McNeil Pharmaceutical, Inc. (US) 2003-05-14 — — EP disclosed
US-20030073672-A1 Method for treating allergies using substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2003-04-17 — — US disclosed
US-20030069240-A1 Method for treating allergies using substituted pyrazoles JANSSEN PHARMACEUTICA N.V. (BE) 2003-04-10 — — US disclosed
US-20020040020-A1 Substituted pyrazoles ORTHO MCNEIL PHARMACEUTICAL, INC. 2002-04-04 — — US disclosed
WO-2002020012-A2 METHOD FOR TREATING ALLERGIES USING SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-03-14 — — WO disclosed
WO-2002014314-A2 SUBSTITUTED PYRAZOLES ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2002-02-21 — — 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 (10 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-20080293732-A1 Substituted pyrazoles CTSS, CTSZ, CTSB GBA1 61/4885KIT 176/4885BACE1 245/4885
US-20080300255-A1 Substituted pyrazoles CTSS, CTSZ, CTSB GBA1 61/4885KIT 176/4885BACE1 245/4885
US-20070004738-A1 Substituted pyrazoles CTSS, CTSZ, CTSB GBA1 61/4885KIT 176/4885BACE1 245/4885
US-20030069240-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 GBA1 2843/4885KIT 57/4885BACE1 1836/4885
US-10975071-B2 Inhibitors of KRAS G12C mutant proteins KRAS, NRAS, HRAS GBA1 1751/4885KIT 4242/4885BACE1 809/4885
US-20190092767-A1 INHIBITORS OF KRAS G12C MUTANT PROTEINS KRAS, NRAS, HRAS GBA1 1751/4885KIT 4242/4885BACE1 809/4885
US-20030073672-A1 Method for treating allergies using substituted pyrazoles TSLP, IL33, HRH2 GBA1 2843/4885KIT 57/4885BACE1 1836/4885
US-20100075983-A1 D3 AND 5-HT2A RECEPTOR MODULATORS HTR2A, HTR3A, HTR1A GBA1 1710/4885KIT 3978/4885BACE1 464/4885
US-20070004754-A1 Substituted pyrazoles CTSS, CTSZ, CTSB GBA1 61/4885KIT 176/4885BACE1 245/4885
US-20020040020-A1 Substituted pyrazoles CTSS, CTSZ, CTSV GBA1 47/4885KIT 275/4885BACE1 210/4885

“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.