SCHEMBL507573

SCHEMBL507573

CCOc1ccc(C#N)cn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
GABRA5 P31644 2/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA3 P34903 1/20 0.47
ACACB O00763 7/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.44
HSD11B1 P28845 4/20 0.43
HSD11B2 P80365 1/20 0.42
OPRM1 P35372 1/20 0.41
CYP2A6 P11509 1/20 0.41
TRPV4 Q9HBA0 1/20 0.41

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
SCHEMBL7433167 0.85 ALDH1A1 (0.49) MAPTGABRA5GABRG2GABRB3GABRA3
SCHEMBL2962829 0.84 ALDH1A1 (0.43) MAPTGABRA5GABRG2GABRB3GABRA3
SCHEMBL27291360 0.84 KDM4E (0.58) MAPTGABRA5GABRG2GABRB3GABRA3
SCHEMBL13347699 0.82 ALDH1A1 (0.61) GABRA5ACACBKDM4EALDH1A1HPGD
SCHEMBL6946618 0.81 ALDH1A1 (0.63) GABRA5ACACBKDM4EALDH1A1HPGD
SCHEMBL1391329 0.81 MAPT (0.47) MAPTGABRA5GABRG2GABRB3GABRA3
SCHEMBL12230280 0.81 ACACB (0.47) MAPTGABRA5GABRG2GABRB3GABRA3
SCHEMBL26750069 0.80 GABRA5 (0.44) GABRA5GABRG2GABRB3GABRA3KDM4E
SCHEMBL524681 0.80 GRM5 (0.49) GABRA5ACACBKDM4EALDH1A1HPGD
SCHEMBL29531456 0.80 GRM5 (0.49) GABRA5ACACBKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114181205-B Pyrazolopyridine compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-06-11 CN disclosed
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 US disclosed
WO-2022053046-A1 PYRAZOLOPYRIDINE COMPOUND OR SALT THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海辉启生物医药科技有限公司 2022-03-17 WO disclosed
CN-114181205-A Pyrazolopyridine compound or salt thereof, and preparation method and application thereof 上海辉启生物医药科技有限公司 2022-03-15 CN disclosed
US-20160362433-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
US-20070299076-A1 Substituted 3-Amino-Pyrrolidino-4-Lactams PFIZER INC 2007-12-27 US disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-10 US disclosed
EP-1424336-A1 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 EP disclosed
EP-0901517-B1 CYANOPYRIDINE N-OXIDE PEROXIDE BLEACH ACTIVATORS JOHNSON & SON INC S C (US) 2000-08-09 EP disclosed
EP-0901517-A1 CYANOPYRIDINE N-OXIDE PEROXIDE BLEACH ACTIVATORS S.C. JOHNSON & SON, INC. (US) 1999-03-17 EP disclosed
US-5739096-A BLEACHING SYSTEM COMPRISING SURFACTANT, PEROXIDE, CYANOPYRIDINE N-OXIDE BLEACH ACTIVATOR S. C. JOHNSON & SON, INC. (US) 1998-04-14 US disclosed
WO-1997042295-A1 CYANOPYRIDINE N-OXIDE PEROXIDE BLEACH ACTIVATORS S.C. JOHNSON & SON, INC. (US) 1997-11-13 WO disclosed
US-4756845-A Peroxide, cyanopyridine activator, cyanopyridinium salt LION CORPORATION (JP) 1988-07-12 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 (4 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-20160362433-A1 ETHER COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, TFPI MAPT 3995/4885GABRA5 4571/4885GABRG2 3616/4885
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, PGM2 MAPT 1660/4885GABRA5 579/4885GABRG2 159/4885
US-20070299076-A1 Substituted 3-Amino-Pyrrolidino-4-Lactams PRMT1, PRMT7, PRMT3 MAPT 2996/4885GABRA5 584/4885GABRG2 823/4885
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 MAPT 3466/4885GABRA5 3635/4885GABRG2 4381/4885

“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.