SCHEMBL4158366

SCHEMBL4158366

Cc1cc(Cl)cc2nc(N3CCCNCC3)oc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.42
CHRNA4 P43681 6/20 0.42
CHRNA1 P02708 1/20 0.42
CHRNA7 P36544 1/20 0.42
PDE10A Q9Y233 2/20 0.41
HRH4 Q9H3N8 3/20 0.40
NCF1 P14598 1/20 0.40
SOS1 Q07889 2/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
HTR6 P50406 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
ADRB1 P08588 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
AOC3 Q16853 1/20 0.37

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
Hydrochloric Acid SCHEMBL6010728 0.99 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA1CHRNA7PDE10A
SCHEMBL6010856 0.95 PDE10A (0.44) CHRNB2CHRNA4PDE10AHRH4NCF1
Hydrochloric Acid SCHEMBL6010724 0.94 PDE10A (0.43) CHRNB2CHRNA4PDE10AHRH4NCF1
Sulfuric Acid SCHEMBL6010918 0.93 HTR6 (0.41) CHRNB2CHRNA4CHRNA1CHRNA7PDE10A
SCHEMBL6010788 0.92 HTR6 (0.41) CHRNB2CHRNA4CHRNA1CHRNA7PDE10A
SCHEMBL6010820 0.87 HRH4 (0.46) CHRNB2CHRNA4CHRNA1CHRNA7HRH4
SCHEMBL6010864 0.85 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA1CHRNA7HRH4
SCHEMBL6010738 0.85 HRH4 (0.45) CHRNB2CHRNA4CHRNA1CHRNA7HRH4
SCHEMBL6010827 0.84 CHRNB2 (0.48) CHRNB2CHRNA4CHRNA1CHRNA7HRH4
Hydrochloric Acid SCHEMBL6010921 0.84 HRH4 (0.44) CHRNB2CHRNA4CHRNA1CHRNA7HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045516-B1 Benzoxazole derivatives and drugs containing the same as the active ingredient KOICHI SHUDO (JP) 2006-05-16 US claimed
EP-1134220-B1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT SHUDO KOICHI (JP) 2004-08-18 EP claimed
EP-1134220-A1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP claimed
WO-2010048514-A1 SYNTHESIS OF 2-AMINOBENZOXAZOLE COMPOUNDS ALBANY MOLECULAR RESEARCH, INC. (US) 2010-04-29 WO disclosed
US-20090118303-A1 SEROTONIN 5-HT3 RECEPTOR AGONIST RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-05-07 US disclosed
US-7485646-B2 Serotonin 5-HT3 receptor agonist RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-02-03 US disclosed
US-20070265277-A1 Serotonin 5-Ht3 Receptor Agonist RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2007-11-15 US disclosed
EP-1798227-A1 SEROTONIN 5-HT3 RECEPTOR AGONIST Research Foundation Itsuu Laboratory (JP) 2007-06-20 EP disclosed
US-7045516-B1 Benzoxazole derivatives and drugs containing the same as the active ingredient KOICHI SHUDO (JP) 2006-05-16 US disclosed
EP-1134220-B1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT SHUDO KOICHI (JP) 2004-08-18 EP disclosed
EP-1134220-A1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 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 (2 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-20090118303-A1 SEROTONIN 5-HT3 RECEPTOR AGONIST HTR3A, HTR7, HTR1A CHRNB2 232/4885CHRNA4 161/4885CHRNA1 201/4885
US-20070265277-A1 Serotonin 5-Ht3 Receptor Agonist HTR3A, HTR7, HTR1A CHRNB2 232/4885CHRNA4 161/4885CHRNA1 201/4885

“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.