SCHEMBL293749

SCHEMBL293749

CC(C)(C)c1cnccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
AOC1 P19801 2/20 0.39
AOC3 Q16853 2/20 0.39
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
CYP2D6 P10635 2/20 0.36
KDM6B O15054 1/20 0.36
KDM4A O75164 1/20 0.36
THRB P10828 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL29689218 0.83 GAA (0.43) GAAAOC1AOC3ALDH1A1KDM4E
SCHEMBL7812435 0.82 AOC1 (0.43) GAAAOC1AOC3ALDH1A1KDM4E
SCHEMBL31505115 0.82 AOC1 (0.43) GAAAOC1AOC3ALDH1A1KDM4E
SCHEMBL1705592 0.78 KIF11 (0.39) GAAALDH1A1TDP1KIF11ALOX5
SCHEMBL20935437 0.78 GAA (0.39) GAAAOC1AOC3ALDH1A1KDM4E
SCHEMBL30450375 0.77 GAA (0.46) GAAAOC1AOC3ALDH1A1KDM4E
SCHEMBL1143409 0.77 GAA (0.46) GAAAOC1AOC3ALDH1A1KDM4E
SCHEMBL179265 0.74 SIRT3 (0.41) CYP2D6TDP1CYP1A2CYP3A4CYP2C9
SCHEMBL16472122 0.73 LOXL2 (0.38) KIF11ALOX5PTGS1PTGS2
SCHEMBL11955155 0.73 GAA (0.41) GAAKDM4EMAPTCYP3A4KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787762-B2 Tetralin and tetrahydroquinoline compounds as inhibitors of HIF-2alpha ARCUS BIOSCIENCES, INC. (US) 2023-10-17 US disclosed
US-20180138428-A1 METAL-ASSISTED DELAYED FLUORESCENT EMITTERS CONTAINING TRIDENTATE LIGANDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY 2018-05-17 US disclosed
EP-2205595-B1 OXADIAZOLE- AND OXAZOLE-SUBSTITUTED BENZIMIDAZOLE- AND INDOLE-DERIVATIVES AS DGAT1 INHIBITORS NOVARTIS AG (CH) 2014-09-10 EP disclosed
CN-101932576-B Oxadiazole- and oxazole-substituted benzimidazole- and indole-derivatives as DGAT1 inhibitors NOVARTIS AG 2014-09-10 CN disclosed
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
US-8598162-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-12-03 US disclosed
US-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 US disclosed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 US disclosed
US-8217065-B2 Organic compounds NOVARTIS AG (SE) 2012-07-10 US disclosed
EP-2287162-B1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMA CO LTD (JP) 2012-05-09 EP disclosed
EP-2287162-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP disclosed
EP-2284169-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-16 EP disclosed
US-7879850-B2 such as 6-[5-(4-Chloro-phenyl)-[1,3,4]oxadiazol-2-yl]-2-(2,6-dichloro-phenyl)-1H-benzoimidazole, having diacylglycerol O-acyl transferase inhibitory activity, used for the treatment of impaired glucose tolerance, non-insulin dependent diabetes or obesity NOVARTIS AG (CH) 2011-02-01 US disclosed
EP-2205595-A1 OXADIAZOLE- AND OXAZOLE-SUBSTITUTED BENZIMIDAZOLE- AND INDOLE-DERIVATIVES AS DGAT1 INHIBITORS Novartis Ag (CH) 2010-07-14 EP disclosed
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-10-22 US disclosed
US-20090186891-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-23 US disclosed
WO-2009040410-A1 OXADIAZOLE- AND OXAZOLE-SUBSTITUTED BENZIMIDAZOLE- AND INDOLE-DERIVATIVES AS DGAT1 INHIBITORS NOVARTIS AG (CH) 2009-04-02 WO disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 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 (7 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-11787762-B2 Tetralin and tetrahydroquinoline compounds as inhibitors of HIF-2alpha HIF1AN, HIF1A, EGLN2 GAA 1620/4885AOC1 3599/4885AOC3 4082/4885
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 GAA 3355/4885AOC1 2909/4885AOC3 1781/4885
US-20090186891-A1 ORGANIC COMPOUNDS DGAT1, DGAT2, SOAT1 GAA 38/4885AOC1 270/4885AOC3 245/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 GAA 2323/4885AOC1 3620/4885AOC3 3149/4885
US-20090264404-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders GRIN2C, GRIN2B, PMP22 GAA 3355/4885AOC1 2909/4885AOC3 1781/4885
US-20180138428-A1 METAL-ASSISTED DELAYED FLUORESCENT EMITTERS CONTAINING TRIDENTATE LIGANDS SLC30A6, SLC30A5, BRI3BP GAA 3702/4885AOC1 118/4885AOC3 392/4885
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 GAA 216/4885AOC1 532/4885AOC3 411/4885

“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.