SCHEMBL1275261

SCHEMBL1275261

CC(C)c1cccc(C(C)C)c1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
LMNA P02545 2/20 0.50
GABRB2 P47870 2/20 0.50
FAAH O00519 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
GABRB1 P18505 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
HTR2C P28335 1/20 0.50
GABRA5 P31644 1/20 0.50
GABRA3 P34903 1/20 0.50
HTR2B P41595 1/20 0.50
GABRA2 P47869 1/20 0.50

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
SCHEMBL2851225 0.88 GABRA1 (0.43) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL5674040 0.88 IRAK4 (0.44) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL23515243 0.86 ALDH1A1 (0.45) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL24429226 0.86 CES2 (0.47) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL29740369 0.86 CES2 (0.47) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL1832023 0.85 LMNA (0.41) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL1274731 0.83 CYP3A4 (0.40) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL27350881 0.83 GABRA1 (0.39) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL23790302 0.82 P2RX7 (0.42) GABRA1GABRG2GABRB3LMNAGABRB2
SCHEMBL27460996 0.81 FABP3 (0.43) GABRA1GABRG2GABRB3LMNAGABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US claimed
US-20100190824-A1 Novel Substituted Piperidones as HSP Inducers TORRENT PHARMACEUTICALS LTD. (IN) 2010-07-29 US claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
US-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same YUYU PHARMA, INC. (KR) 2009-07-02 US claimed
EP-1984370-A1 IMIDAZOPYRIDINE DERIVATIVES INHIBITING PROTEIN KINASE ACTIVITY, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Crystalgenomics, Inc. (KR) 2008-10-29 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
WO-2007083978-A1 IMIDAZOPYRIDINE DERIVATIVES INHIBITING PROTEIN KINASE ACTIVITY, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME CRYSTALGENOMICS, INC. (KR) 2007-07-26 WO claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
CN-1310629-A Combined administration of ACAT and MMP inhibitors for the treatment of atherosclerotic lesions WARNER LAMBERT CO (US) 2001-08-29 CN claimed
US-6262197-B1 AS POLYMERIZATION CATALYST IN OLEFIN POLYMERIZATION TARGOR GMBH (DE) 2001-07-17 US claimed
WO-2001034127-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-05-17 WO claimed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed
US-5808122-A Organometallic compound HOECHST AKTIENGESELLSCHAFT (DE) 1998-09-15 US claimed
US-5726333-A POLYMERIZATION CATALYSTS HOECHST AG (DE) 1998-03-10 US claimed
US-5502198-A α-aryl or heteroaryl-substituted amide ester ACAT inhibitors WARNER-LAMBERT COMPANY (US) 1996-03-26 US claimed

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-20090170847-A1 Imidazopyridine Derivatives Inhibiting Protein Kinase Activity, Method for the Preparation Thereof and Pharmaceutical Composition Containing Same GSK3B, GSK3A, MAP3K3 GABRA1 4445/4885GABRG2 4489/4885GABRB3 3673/4885
US-20100190824-A1 Novel Substituted Piperidones as HSP Inducers HSF1, HSPA4, HSPA5 GABRA1 2401/4885GABRG2 2960/4885GABRB3 2202/4885

“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.