SCHEMBL6640808

SCHEMBL6640808

BrCCc1c[nH]c2ccc(Br)cc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.73
TRPM8 Q7Z2W7 3/20 0.73
GPR84 Q9NQS5 1/20 0.71
SLC6A4 P31645 3/20 0.63
HTR1A P08908 6/20 0.62
HTR2C P28335 3/20 0.62
HTR1D P28221 3/20 0.62
HTR1B P28222 2/20 0.62
HTR1E P28566 2/20 0.62
HTR7 P34969 2/20 0.62
DRD3 P35462 2/20 0.62
HTR2B P41595 2/20 0.62
HTR5A P47898 2/20 0.62
HTR6 P50406 2/20 0.62
ADRA2A P08913 1/20 0.62
DRD2 P14416 1/20 0.62
ADRA2B P18089 1/20 0.62
ADRA2C P18825 1/20 0.62
SLC6A2 P23975 1/20 0.62
ADRA1D P25100 1/20 0.62

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
SCHEMBL5430044 0.91 HTR2A (0.80) HTR2ATRPM8GPR84SLC6A4HTR1A
SCHEMBL23649345 0.90 HTR2A (0.69) HTR2ATRPM8GPR84SLC6A4HTR1A
SCHEMBL4492982 0.85 GPR84 (0.76) HTR2ATRPM8GPR84SLC6A4HTR1A
SCHEMBL28116971 0.84 HTR2A (0.71) HTR2ATRPM8GPR84SLC6A4HTR1A
SCHEMBL29444443 0.84 HTR2A (0.71) HTR2ATRPM8GPR84SLC6A4HTR1A
SCHEMBL733712 0.84 HTR2A (0.71) HTR2ATRPM8GPR84SLC6A4HTR1A
SCHEMBL29791683 0.84 HTR2A (1.00) HTR2ATRPM8GPR84SLC6A4HTR1A
SCHEMBL13715518 0.84 HTR2A (0.71) HTR2ATRPM8GPR84SLC6A4HTR1A
SCHEMBL1520598 0.84 HTR2A (1.00) HTR2ATRPM8GPR84SLC6A4HTR1A
SCHEMBL27929625 0.83 GPR84 (1.00) HTR2ATRPM8GPR84SLC6A4HTR1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100455570-C Quinolinone/benzo  oxazinone derivatives and uses thereof HOFFMANN LA ROCHE (CH) 2009-01-28 CN disclosed
CN-1759101-A Quinolinone / benzoxazinone derivatives and uses thereof HOFFMANN LA ROCHE (CH) 2006-04-12 CN disclosed
EP-1078928-B1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2004-05-12 EP disclosed
US-6486171-B2 USEFUL IN THE TREATMENT OF SOME CENTRAL NERVOUS SYSTEM DISORDERS INCLUDING AS AN ANTIDEPRESSANT; 4-(1-(2-NAPHTHYL)ETHYL)-4- PIPERIDINYL)THIENO(3,2-C)PYRIDINE, FOR EXAMPLE LES LABORATOIRES SERVIER (FR) 2002-11-26 US disclosed
US-20020161228-A1 Piperidine compounds ADIR ET COMPAGNIE 2002-10-31 US disclosed
US-6399616-B1 4-(4-(2-(5-(1,2,4-TRIAZOL-1-YLMETHYL)-1H-INDOL-3-YL)ETHYL)-1 -PIPERAZINYL)FURO(3,2-C)PYRIDINE; COMBINED SEROTONIN REUPTAKE INHIBITOR AND PARTIAL AGONIST OF 5-HT RECEPTORS; REDUCED LATENCY; DEPRESSION LES LABORATOIRES SERVIER (FR) 2002-06-04 US disclosed
EP-1078928-A1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-02-28 EP disclosed
EP-0187619-A2 1,3-Disubstituted tetrahydropyridines CIBA-GEIGY AG (CH) 1986-07-16 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-20020161228-A1 Piperidine compounds OTC, NPPA, AQP4 HTR2A 748/4885TRPM8 2116/4885GPR84 2760/4885

“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.