SCHEMBL12414130

SCHEMBL12414130

CC(C)c1cccn1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
BCHE P06276 1/20 0.43
BUB1 O43683 1/20 0.40
GPR119 Q8TDV5 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 2/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
TNK2 Q07912 1/20 0.36
TSHR P16473 2/20 0.36
ALOX15 P16050 1/20 0.36
ATR Q13535 1/20 0.35
ABCB1 P08183 1/20 0.35
KLK7 P49862 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
SCHEMBL3835540 0.84 HSP90AA1 (0.42) HSP90AA1HSP90AB1BCHEBUB1GPR119
SCHEMBL6589704 0.80 HSP90AA1 (0.40) HSP90AA1HSP90AB1BCHEBUB1GPR119
SCHEMBL8079706 0.78 HSP90AA1 (0.45) HSP90AA1HSP90AB1BCHEBUB1GPR119
SCHEMBL15614511 0.78 LPO (0.44) BCHEL3MBTL1NPC1ALDH1A1MAPT
SCHEMBL15417736 0.77 HSP90AA1 (0.47) HSP90AA1HSP90AB1BCHEBUB1GPR119
SCHEMBL163016 0.77 HSP90AA1 (0.47) HSP90AA1HSP90AB1BCHEBUB1GPR119
SCHEMBL4916320 0.77 HSP90AA1 (0.47) HSP90AA1HSP90AB1BCHEBUB1GPR119
SCHEMBL24914436 0.76 HSP90AA1 (0.52) HSP90AA1HSP90AB1BCHEBUB1GPR119
SCHEMBL19204908 0.76 HSP90AA1 (0.46) HSP90AA1HSP90AB1BCHEBUB1GPR119
SCHEMBL2616414 0.76 HSP90AA1 (0.46) HSP90AA1HSP90AB1BCHEBUB1GPR119

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022272060-A1 EP2 ANTAGONIST COMPOUNDS RESERVOIR NEUROSCIENCE, INC. (US) 2022-12-29 WO disclosed
US-11084781-B2 Diarylureas as CB1 allosteric modulators RESEARCH TRIANGLE INSTITUTE (US) 2021-08-10 US disclosed
US-20210040076-A1 Compounds for the Treatment of Kinase-Dependent Disorders EXELIXIS, INC. 2021-02-11 US disclosed
US-20200062699-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-02-27 US disclosed
WO-2019148044-A1 COMPOUNDS FOR THE TREATMENT OF KINASE-DEPENDENT DISORDERS EXELIXIS, INC. (US) 2019-08-01 WO disclosed
US-9758509-B2 Substituted 3-(5-membered unsaturated heterocyclyl-1, 3-dihydro-indol-2-one's and derivatives thereof as kinase inhibitors ALLERGAN, INC. (US) 2017-09-12 US disclosed
US-20170174664-A1 SUBSTITUTED 3-(5-MEMBERED UNSATURATED HETEROCYCLYL-1, 3-DIHYDRO-INDOL-2-ONE'S AND DERIVATIVES THEREOF AS KINASE INHIBITORS ALLERGAN, INC. 2017-06-22 US disclosed
US-20170174664-A1 SUBSTITUTED 3-(5-MEMBERED UNSATURATED HETEROCYCLYL-1, 3-DIHYDRO-INDOL-2-ONE'S AND DERIVATIVES THEREOF AS KINASE INHIBITORS ALLERGAN, INC. 2017-06-22 US disclosed
US-20160152609-A1 IMIDAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF MERCK PATENT GMBH (DE) 2016-06-02 US disclosed
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-03-20 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-20110152313-A1 SYNTHESIS OF AGELADINE A AND ANALOGS THEREOF MACQUARIE UNIVERSITY (AU) 2011-06-23 US disclosed
US-7335653-B2 Chemokine receptor antagonists; CCR9-mediated disorders such as inflammatory and autoimmune diseases CHEMOCENTRYX, INC. (US) 2008-02-26 US disclosed
US-20070203131-A1 Bis-aryl sulfonamides CHEMOCENTRYX, INC. 2007-08-30 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 (9 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-20110152313-A1 SYNTHESIS OF AGELADINE A AND ANALOGS THEREOF QDPR, ODC1, CROCC HSP90AA1 2217/4885HSP90AB1 3314/4885BCHE 765/4885
US-11084781-B2 Diarylureas as CB1 allosteric modulators CNR1, CNR2, GPR18 HSP90AA1 4045/4885HSP90AB1 3841/4885BCHE 2050/4885
US-20200062699-A1 DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS CNR1, CNR2, GPR18 HSP90AA1 4045/4885HSP90AB1 3841/4885BCHE 2050/4885
US-20210040076-A1 Compounds for the Treatment of Kinase-Dependent Disorders ERBB2, MAP3K6, MAP3K1 HSP90AA1 859/4885HSP90AB1 524/4885BCHE 4206/4885
US-20070203131-A1 Bis-aryl sulfonamides CCR2, CXCR2, CCL2 HSP90AA1 2084/4885HSP90AB1 1832/4885BCHE 3417/4885
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 HSP90AA1 4362/4885HSP90AB1 4376/4885BCHE 1075/4885
US-20140080704-A1 SUBSTITUTED VINYL AND ALKINYL CYCLOHEXENOLS AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS CBR3, CYP4X1, CBR1 HSP90AA1 2421/4885HSP90AB1 2591/4885BCHE 3094/4885
US-20160152609-A1 IMIDAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF FSHR, GNRHR, LHCGR HSP90AA1 3558/4885HSP90AB1 3345/4885BCHE 2768/4885
US-20170174664-A1 SUBSTITUTED 3-(5-MEMBERED UNSATURATED HETEROCYCLYL-1, 3-DIHYDRO-INDOL-2-ONE'S AND DERIVATIVES THEREOF AS KINASE INHIBITORS DSTYK, CDK2, ERBB2 HSP90AA1 2076/4885HSP90AB1 1632/4885BCHE 4756/4885

“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.