SCHEMBL5777664

SCHEMBL5777664

Nc1cccc(OCc2ccc3ccccc3n2)c1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 11/20 0.69
CYSLTR2 Q9NS75 5/20 0.69
GPBAR1 Q8TDU6 7/20 0.67
PDE10A Q9Y233 1/20 0.63

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
SCHEMBL8179931 0.86 PDE10A (0.64) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL9015180 0.85 MAOB (0.67) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL7975209 0.85 CYSLTR1 (0.61) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL8171385 0.85 CYSLTR1 (0.51) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL8180239 0.85 CYSLTR1 (0.51) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL9215770 0.85 CYSLTR1 (0.64) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL8187205 0.85 CYSLTR1 (0.57) CYSLTR1CYSLTR2GPBAR1
SCHEMBL8179251 0.85 CYSLTR1 (0.52) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL6088376 0.84 CYSLTR1 (0.72) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL8186157 0.83 CYSLTR1 (0.53) CYSLTR1CYSLTR2GPBAR1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1652839-A2 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-05-03 EP disclosed
EP-1227084-B1 DRUG DISCHARGE PUMP INHIBITORS TRINE PHARMACEUTICALS INC (US) 2005-12-14 EP disclosed
US-20030220373-A1 Therapeutic uses of PPAR mediators AVENTIS PHARMACEUTICALS PRODUCTS INC. 2003-11-27 US disclosed
EP-1267874-A2 THERAPEUTIC USES OF PPAR MEDIATORS Aventis Pharma Deutschland GmbH (DE) 2003-01-02 EP disclosed
EP-1030665-A4 THERAPEUTIC USES OF QUINOLINE DERIVATIVES AVENTIS PHARM PROD INC (US) 2002-11-27 EP disclosed
EP-1227084-A1 DRUG DISCHARGE PUMP INHIBITORS Microcide Pharmaceuticals, Inc. (US) 2002-07-31 EP disclosed
US-6376512-B1 FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-04-23 US disclosed
WO-2001066098-A2 THERAPEUTIC USES OF PPAR MEDIATORS AVENTIS PHARMA DEUTSCHLAND GMBH 2001-09-13 WO disclosed
EP-1030665-A1 THERAPEUTIC USES OF QUINOLINE DERIVATIVES Aventis Pharmaceuticals Products Inc. (US) 2000-08-30 EP disclosed
EP-0643045-B1 Quinoline derivatives as leukotriene antagonists NOVARTIS AG (CH) 2000-03-08 EP disclosed
US-4920132-A Quinoline derivatives and use thereof as antagonists of leukotriene D4 RORER PHARMACEUTICAL CORP. (US) 1990-04-24 US disclosed
US-4904786-A Quinoline compounds as antiallergic and antiinflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1990-02-27 US disclosed
WO-1989005294-A1 SUBSTITUTED QUINOLINES LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LØVENS KEMIS (DK) 1989-06-15 WO disclosed
EP-0315399-A2 Quinoline derivatives, their use in the treatment of hypersensitive ailments and a pharmaceutical composition containing the same RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1989-05-10 EP disclosed
US-4826987-A Pyridyl and quinoline derivatives LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1989-05-02 US disclosed
EP-0284174-A1 Therapeutic preparations IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-09-28 EP disclosed
US-4772703-A LIPOXYGENASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1988-09-20 US disclosed
EP-0261539-A2 Substituted phenyl-sulphon amides BAYER AG (DE) 1988-03-30 EP disclosed
EP-0232954-A2 Heterocyclic sulphonamides AMERICAN HOME PRODUCTS CORPORATION (US) 1987-08-19 EP disclosed
US-4675405-A Quinoline compounds as antiallergic and antithrombotic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1987-06-23 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 (1 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-20030220373-A1 Therapeutic uses of PPAR mediators PPARG, PPARA, PPARD CYSLTR1 297/4885CYSLTR2 422/4885GPBAR1 15/4885

“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.