SCHEMBL4299286

SCHEMBL4299286

O=C(Nc1cc(Br)cc(Br)c1)N1CCCN(Cc2ccccc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.77
NPSR1 Q6W5P4 1/20 0.77
FAAH O00519 14/20 0.68
KDM4E B2RXH2 3/20 0.65
MAPT P10636 3/20 0.65
CA12 O43570 1/20 0.62
CA2 P00918 1/20 0.62
CA9 Q16790 1/20 0.62
EEF2K O00418 1/20 0.61
NPC1 O15118 1/20 0.61
TSHR P16473 1/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61

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
SCHEMBL4306572 0.95 FAAH (0.75) PKMNPSR1FAAHKDM4EMAPT
SCHEMBL16707637 0.87 FAAH (0.89) PKMNPSR1FAAHKDM4EMAPT
SCHEMBL12655784 0.83 CA12 (0.90) PKMNPSR1FAAHKDM4EMAPT
SCHEMBL13595581 0.82 FAAH (0.74) PKMNPSR1FAAHKDM4EMAPT
SCHEMBL3596348 0.82 FAAH (1.00) FAAHKDM4EMAPTCA12CA2
SCHEMBL3602903 0.81 FAAH (1.00) FAAHKDM4EMAPTCA12CA2
SCHEMBL16707650 0.81 PKM (0.84) PKMNPSR1FAAHKDM4EMAPT
SCHEMBL3602524 0.81 FAAH (1.00) FAAHKDM4EMAPT
SCHEMBL4310975 0.80 FAAH (0.75) PKMNPSR1FAAHKDM4EMAPT
SCHEMBL4304723 0.80 CA12 (0.52) PKMNPSR1FAAHKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 PKM 4132/4885NPSR1 24/4885FAAH 322/4885
US-20070265277-A1 Serotonin 5-Ht3 Receptor Agonist HTR3A, HTR7, HTR1A PKM 4132/4885NPSR1 24/4885FAAH 322/4885

“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.