SCHEMBL4306994

SCHEMBL4306994

CN1CCCN(C(=O)Nc2cccc(Br)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
MAPT P10636 2/20 0.61
ALDH1A1 P00352 3/20 0.57
THRB P10828 1/20 0.56
TP53 P04637 1/20 0.56
LMNA P02545 1/20 0.56
RAB9A P51151 2/20 0.56
GAA P10253 1/20 0.55
MEN1 O00255 1/20 0.53
RECQL P46063 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HTT P42858 1/20 0.53
FAAH O00519 1/20 0.53
TRPV1 Q8NER1 1/20 0.53
NPC1 O15118 1/20 0.52
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51

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
SCHEMBL4310718 0.95 KDM4E (0.68) KDM4EMAPTALDH1A1THRBTP53
SCHEMBL4307557 0.86 KDM4E (0.52) KDM4EMAPTALDH1A1LMNARAB9A
SCHEMBL4301466 0.85 ALDH1A1 (0.79) KDM4EMAPTALDH1A1RAB9AMEN1
SCHEMBL4306285 0.84 KMT2A (0.77) KDM4EMAPTALDH1A1LMNARAB9A
SCHEMBL4306485 0.80 KDM4E (0.58) KDM4EMAPTALDH1A1LMNARAB9A
SCHEMBL20236193 0.80 MAPT (0.56) KDM4EMAPTALDH1A1THRBTP53
SCHEMBL4307000 0.79 ALDH1A1 (0.78) KDM4EMAPTALDH1A1LMNARAB9A
SCHEMBL4300495 0.79 L3MBTL1 (0.73) MAPTTHRBTP53LMNANPSR1
SCHEMBL3647856 0.78 KDM4E (0.68) KDM4EMAPTALDH1A1LMNARAB9A
SCHEMBL21336627 0.78 KDM4E (0.68) KDM4EMAPTALDH1A1LMNARAB9A

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 KDM4E 3740/4885MAPT 4268/4885ALDH1A1 2805/4885
US-20070265277-A1 Serotonin 5-Ht3 Receptor Agonist HTR3A, HTR7, HTR1A KDM4E 3740/4885MAPT 4268/4885ALDH1A1 2805/4885

“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.