SCHEMBL4304723

SCHEMBL4304723

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
NPSR1 Q6W5P4 2/20 0.49
PKM P14618 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 1/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NAMPT P43490 1/20 0.46
MAPT P10636 2/20 0.45
THRB P10828 2/20 0.45
LMNA P02545 1/20 0.45
FAAH O00519 3/20 0.44
POLB P06746 1/20 0.44
ACHE P22303 1/20 0.43

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
SCHEMBL4312827 0.95 CA12 (0.56) CA12CA1CA2CA9NPSR1
SCHEMBL4300041 0.88 NPSR1 (0.48) NPSR1PKMRAB9ANPC1ALDH1A1
SCHEMBL4308429 0.84 NPSR1 (0.68) CA12CA1CA2CA9NPSR1
SCHEMBL4302850 0.82 FAAH (0.47) CA2CA9NPSR1SMN1; SMN2MAPT
SCHEMBL4301482 0.82 NPSR1 (0.47) NPSR1PKMRAB9ANPC1ALDH1A1
SCHEMBL4300495 0.82 L3MBTL1 (0.73) CA12CA1CA2CA9NPSR1
SCHEMBL4307557 0.81 KDM4E (0.52) NPSR1L3MBTL1RAB9ANPC1ALDH1A1
SCHEMBL4299286 0.80 PKM (0.77) CA12CA2CA9NPSR1PKM
SCHEMBL4302778 0.78 CA12 (0.56) CA12CA1CA2CA9NPSR1
SCHEMBL4300945 0.78 NPSR1 (0.65) CA12CA1CA2CA9NPSR1

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 CA12 4855/4885CA1 4473/4885CA2 2508/4885
US-20070265277-A1 Serotonin 5-Ht3 Receptor Agonist HTR3A, HTR7, HTR1A CA12 4855/4885CA1 4473/4885CA2 2508/4885

“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.