SCHEMBL243295

SCHEMBL243295

OCc1ccc2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 3/20 0.57
CCR1 P32246 1/20 0.54
CYSLTR2 Q9NS75 1/20 0.53
CYP1A2 P05177 2/20 0.53
GPBAR1 Q8TDU6 3/20 0.53
PDE10A Q9Y233 3/20 0.49
NCF1 P14598 1/20 0.46
NOS2 P35228 1/20 0.46
BACE1 P56817 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
MGAM O43451 1/20 0.45

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
SCHEMBL28496074 0.98 CYSLTR1 (0.56) CYSLTR1CCR1CYSLTR2CYP1A2GPBAR1
Hydrochloric Acid SCHEMBL3129974 0.98 CYSLTR1 (0.56) CYSLTR1CCR1CYSLTR2CYP1A2GPBAR1
Bicarbonate SCHEMBL28680175 0.92 CYP1A2 (0.56) CYSLTR1CCR1CYSLTR2CYP1A2GPBAR1
Sulfuric Acid SCHEMBL3119154 0.90 CYSLTR1 (0.50) CYSLTR1CCR1CYSLTR2CYP1A2GPBAR1
SCHEMBL6145547 0.84 AR (0.56) CYSLTR1CYSLTR2GPBAR1PDE10A
SCHEMBL296473 0.83 PDE10A (0.50) CYSLTR1CYSLTR2CYP1A2GPBAR1PDE10A
SCHEMBL30879956 0.81 CYSLTR1 (0.57) CYSLTR1CYSLTR2CYP1A2PDE10ANCF1
SCHEMBL2913941 0.81 PDE10A (0.61) CYSLTR1CYSLTR2CYP1A2PDE10ANCF1
SCHEMBL3267444 0.81 CYSLTR1 (0.57) CYSLTR1CYSLTR2CYP1A2PDE10ANCF1
SCHEMBL898777 0.79 PDE10A (0.47) CYSLTR1CYSLTR2CYP1A2GPBAR1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114213307-A Preparation method of N-alkyl substituted pyrrolidone compound 河南农业大学 2022-03-22 CN claimed
CN-110963991-A PI3K inhibitor and preparation method and application thereof 嘉兴学院 2020-04-07 CN claimed
WO-2010000686-A2 COMPOSITION FOR TOPICAL USE VISENTINI FEDERICO (BR) 2010-01-07 WO claimed
CN-101528718-A Modulators of glucocorticoid receptor and/or AP-1 and/or NF- κ B activity and uses thereof BRISTOL MYERS SQUIBB CO (US) 2009-09-09 CN claimed
CN-100502847-C Compositions containing substituted quinolines and substituted diphenyl sulfones and its pharmaceutical use BAYER COLLEGE OF MEDICINE (US) 2009-06-24 CN claimed
EP-2049507-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF Brystol-Myers Squibb Company (US) 2009-04-22 EP claimed
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US claimed
EP-1594485-A4 COMPOSITIONS CONTAINING SUBSTITUTED QUINOLINES AND SUBSTITUTED DIPHENYL SULFONES AND METHODS OF USE BAYLOR COLLEGE MEDICINE (US) 2009-01-14 EP claimed
WO-2008021926-A2 MODULATORS OF GLUCOCORTICOID RECEPTOR, AND/OR AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO claimed
CN-1819822-A Compositions containing substituted quinolines and substituted diphenyl sulfones and methods of use BAYER COLLEGE OF MEDICINE (US) 2006-08-16 CN claimed
WO-1997007145-A1 THERMOSETTING ANTI-REFLECTIVE COATINGS AND METHOD FOR MAKING SAME FLAIM TONY D (US) 1997-02-27 WO claimed
EP-0610943-A1 Pyridinium derivatives useful as PAF antagonists J. URIACH & CIA. S.A. (ES) 1994-08-17 EP claimed
US-5324747-A Treatment of inflammatory diseases HOFFMANN-LA ROCHE INC. (US) 1994-06-28 US claimed
EP-0579066-A2 N-substituted anilines F. HOFFMANN-LA ROCHE AG (CH) 1994-01-19 EP claimed
US-5166161-A Antiallergens or antiinflammatory agents PFIZER INC. (US) 1992-11-24 US claimed
EP-0414076-A1 Cyclic substituted (quinoline-2-yl-methoxy)phenylacetic acid derivatives BAYER AG (DE) 1991-02-27 EP claimed
CN-1045778-A (quinolin-2-ylmethoxy) phenyl-N that replaces, N '-sulfonylurea, its preparation method and the application in medicine thereof BAYER AG (DE) 1990-10-03 CN claimed
EP-0181568-A2 Anti-inflammatory/anti-allergic compounds RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1986-05-21 EP claimed
EP-0021337-B1 PREPARATIONS FOR PARENTERAL ADMINISTRATION OF FAT-SOLUBLE DRUGS F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-12-07 EP claimed
US-4411894-A Pharmaceutical preparations HOFFMANN-LA ROCHE INC. (US) 1983-10-25 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 (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-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB2, NFRKB, NFKB1 CYSLTR1 385/4885CCR1 197/4885CYSLTR2 712/4885

“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.