SCHEMBL4498121

SCHEMBL4498121

CCc1nc(C(=O)O)c2ccccn12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.63
ALDH1A1 P00352 3/20 0.63
KDM4E B2RXH2 2/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
GUCY1A1 Q02108 1/20 0.48
GUCY1B1 Q02153 1/20 0.48
PTGS1 P23219 2/20 0.45
PTGS2 P35354 2/20 0.45
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 2/20 0.43
POLB P06746 2/20 0.43
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CNR2 P34972 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL3897724 0.88 GUCY1A1 (0.55) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL3909055 0.85 GUCY1A1 (0.62) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4497227 0.84 MEN1 (0.46) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL31282458 0.83 ALDH1A1 (0.45) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL7373271 0.79 KDM4E (0.60) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL25374632 0.79 HAT1 (0.49) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL14584125 0.77 RORC (0.43) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL12480878 0.76 KMT2A (0.47) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL23360823 0.76 MEN1 (0.38) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4321445 0.76 MAPK1 (0.51) MAPTALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917262-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed
US-7491821-B2 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders ROCHE PALO ALTO LLC (US) 2009-02-17 US disclosed
EP-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 US disclosed
US-5627190-A TREATMENT OF ANXIETY, PSYCHOSES, DEPRESSION, ORGASTROINTESTINAL DISORDERS, 5-HYDROXYTRYPTAMINE ANTAGONISTS G. D. SEARLE & CO. (US) 1997-05-06 US disclosed
US-5604239-A GASTROINTESTINAL AND PSYCHOLOGICAL DISORDERS G. D. SEARLE & CO. (US) 1997-02-18 US disclosed
US-5591749-A ANXIOLYTIC AND ANTIDEPRESSANT AGENTS; GASTROINTESTINAL AND PSYCHOLOGICAL DISORDERS G. D. SEARLE & CO. (US) 1997-01-07 US disclosed
US-5434161-A FOR TREATING ANXIETY, PSYCHOSES, DEPRESSION OR GASTROINTESTINAL MOTILITY G. D. SEARLE & CO. (US) 1995-07-18 US disclosed
US-5430040-A Anxiolytic agents, antidepressants, antiserotonine agents; treatment of psychosis, gastrointestinal disorders G. D. SEARLE & CO. (US) 1995-07-04 US disclosed
US-5219850-A Anyiolytic agents, gastrointestinal disorders, antiserotonin agents G. D. SEARLE & CO. (US) 1993-06-15 US disclosed
US-5196547-A Meso-azacyclic amides of imidazopyridine carboxylic acids and analogs thereof G. D. SEARLE & CO. (US) 1993-03-23 US disclosed
EP-0530353-A1 NEW IMIDAZOPYRIDINES AS SEROTONERGIC 5-HT 3? ANTAGONISTS G.D. SEARLE & CO. (US) 1993-03-10 EP disclosed
EP-0504679-A1 New imidazopyridines as serotonergic 5-HT3 antagonists G.D. Searle & Co. (US) 1992-09-23 EP disclosed
WO-1992015593-A1 NEW IMIDAZOPYRIDINES AS SEROTONERGIC 5-HT3 ANTAGONISTS G.D. SEARLE & CO. (US) 1992-09-17 WO disclosed
US-5137893-A Anxilytic agents; antidepressants; antiemetics G. D. SEARLE & CO. (US) 1992-08-11 US disclosed
US-4882327-A NERVOUS SYSTEM DISORDERS BEECHAM GROUP P.L.C. (GB) 1989-11-21 US disclosed
US-4808593-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC; REDUCED GASTROINTESTINAL EFFECTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-02-28 US disclosed
EP-0289170-A2 Azabicyclic compounds, process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1988-11-02 EP disclosed
EP-0284069-A2 Benzopyranopyridineacetic acid ester compounds and their pharmaceutical uses Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1988-09-28 EP 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-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 MAPT 4669/4885ALDH1A1 2159/4885KDM4E 1047/4885

“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.