SCHEMBL700753

SCHEMBL700753

CCOC(=O)c1cc2c(OCc3ccccc3)cccc2[nH]1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.73
GABRA1 P14867 5/20 0.52
GABRG2 P18507 5/20 0.52
GABRB3 P28472 5/20 0.52
GABRA5 P31644 5/20 0.52
GABRA3 P34903 5/20 0.52
GABRA2 P47869 5/20 0.52
GABRP O00591 3/20 0.52
GABRD O14764 3/20 0.52
GABRB1 P18505 3/20 0.52
GABRB2 P47870 3/20 0.52
GABRA4 P48169 3/20 0.52
GABRE P78334 3/20 0.52
GABRA6 Q16445 3/20 0.52
GABRG1 Q8N1C3 3/20 0.52
GABRG3 Q99928 3/20 0.52
GABRQ Q9UN88 3/20 0.52
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 5/20 0.50
RAB9A P51151 4/20 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
SCHEMBL7005455 0.90 SRD5A2 (0.59) SRD5A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL7004252 0.89 SRD5A2 (0.58) SRD5A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL6595625 0.88 SRD5A2 (0.77) SRD5A2KDM4EALDH1A1RAB9ANPC1
SCHEMBL6804626 0.87 SRD5A2 (0.55) SRD5A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL3043331 0.87 SRD5A2 (0.55) SRD5A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL30024037 0.87 SRD5A2 (0.55) SRD5A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL7006504 0.87 SRD5A2 (0.56) SRD5A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL914178 0.85 SRD5A2 (0.54) SRD5A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL27189535 0.85 SRD5A2 (0.53) SRD5A2GABRA1GABRG2GABRB3GABRA5
SCHEMBL30397127 0.85 SRD5A2 (1.00) SRD5A2KDM4EALDH1A1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210379044-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2021-12-09 US disclosed
US-20210379044-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED 2021-12-09 US disclosed
US-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE IP DEV LTD (GB) 2019-11-07 US disclosed
US-10370388-B2 Heterocyclic compounds and methods of their use NOVARTIS AG (CH) 2019-08-06 US disclosed
WO-2018134731-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-07-26 WO disclosed
US-20170145032-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2017-05-25 US disclosed
US-20170145032-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2017-05-25 US disclosed
US-9624243-B2 Heterocyclic compounds and methods of their use NOVARTIS AG (CH) 2017-04-18 US disclosed
US-9624243-B2 Heterocyclic compounds and methods of their use NOVARTIS AG (CH) 2017-04-18 US disclosed
US-20140378430-A1 Heterocyclic Compounds and Methods of Their Use SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2014-12-25 US disclosed
EP-1200439-B1 1,2-DIHYDRO-1-OXO-PARAZINO(1,2-A) INDOLE DERIVATIVES NOVUSPHARMA SPA (IT) 2003-06-25 EP disclosed
US-20020111358-A1 Phenoxypropylamine compounds MITSUBISHI PHARMA CORPORATION (JP) 2002-08-15 US disclosed
EP-1230218-A1 POSITIVE MODULATORS OF NICOTINIC RECEPTOR AGONISTS AstraZeneca AB (SE) 2002-08-14 EP disclosed
EP-1200439-A1 1,2-DIHYDRO-1-OXO-PARAZINO(1,2-A) INDOLE DERIVATIVES Novuspharma S.p.A. (IT) 2002-05-02 EP disclosed
EP-1188747-A1 PHENOXYPROPYLAMINE COMPOUNDS Mitsubishi Pharma Corporation (JP) 2002-03-20 EP disclosed
US-6337344-B1 ANTICOAGULANTS AND ENZYME INHIBITORS FOR CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-01-08 US disclosed
WO-2001032622-A1 POSITIVE MODULATORS OF NICOTINIC RECEPTOR AGONISTS ASTRAZENECA AB (SE) 2001-05-10 WO disclosed
WO-2001009136-A1 1,2-DIHYDRO-1-OXO-PYRAZINO[1,2-A]INDOLE DERIVATIVES NOVUSPHARMA S.P.A. (IT) 2001-02-08 WO disclosed
EP-1042287-A1 INDOLE DERIVATIVES AS INHIBITORS OF FACTOR XA Aventis Pharma Deutschland GmbH (DE) 2000-10-11 EP disclosed
WO-1999033800-A1 INDOLE DERIVATIVES AS INHIBITORS OR FACTOR XA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-08 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 (6 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-10370388-B2 Heterocyclic compounds and methods of their use AGTR2, AGTR1, BDKRB2 SRD5A2 3387/4885GABRA1 1127/4885GABRG2 1106/4885
US-20140378430-A1 Heterocyclic Compounds and Methods of Their Use AGTR2, AGTR1, BDKRB2 SRD5A2 3352/4885GABRA1 1125/4885GABRG2 1115/4885
US-20170145032-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF THEIR USE AGTR2, AGTR1, BDKRB2 SRD5A2 3352/4885GABRA1 1125/4885GABRG2 1115/4885
US-20210379044-A1 NON PEPTIDIC HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES ACKR3, CXCR3, CCL2 SRD5A2 4300/4885GABRA1 423/4885GABRG2 624/4885
US-20020111358-A1 Phenoxypropylamine compounds HTR1A, HTR1D, HTR5A SRD5A2 1097/4885GABRA1 410/4885GABRG2 1689/4885
US-20190336489-A1 NON PEPTIDE HETEROBIVALENT MOLECULES FOR TREATING INFLAMMATORY DISEASES ACKR3, CXCR3, CCL2 SRD5A2 4417/4885GABRA1 412/4885GABRG2 522/4885

“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.