SCHEMBL4301482

SCHEMBL4301482

C=CCN1CCCN(C(=O)Nc2cc(Br)cc(Br)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.43
THRB P10828 2/20 0.43
LMNA P02545 1/20 0.43
FAAH O00519 7/20 0.43
TGM2 P21980 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4302455 0.95 FAAH (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4311165 0.85 NPSR1 (0.65) NPSR1PKMRAB9ANPC1ALDH1A1
SCHEMBL4304723 0.82 CA12 (0.52) NPSR1PKMRAB9ANPC1ALDH1A1
SCHEMBL4300041 0.81 NPSR1 (0.48) NPSR1PKMRAB9ANPC1ALDH1A1
SCHEMBL4305842 0.79 NPSR1 (0.61) NPSR1PKMRAB9ANPC1ALDH1A1
SCHEMBL4302495 0.79 LMNA (0.53) ALDH1A1SMN1; SMN2MAPTLMNAFAAH
SCHEMBL4299286 0.78 PKM (0.77) NPSR1PKMRAB9ANPC1SMN1; SMN2
SCHEMBL13635994 0.76 FAAH (0.65) NPSR1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL4307557 0.76 KDM4E (0.52) NPSR1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL4312827 0.76 CA12 (0.56) NPSR1RAB9ANPC1ALDH1A1SMN1; SMN2

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 NPSR1 24/4885PKM 4132/4885RAB9A 849/4885
US-20070265277-A1 Serotonin 5-Ht3 Receptor Agonist HTR3A, HTR7, HTR1A NPSR1 24/4885PKM 4132/4885RAB9A 849/4885

“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.