SCHEMBL4306485

SCHEMBL4306485

CN1CCN(C(=O)Nc2cc(Br)cc(Br)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
MAPT P10636 5/20 0.54
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.49
DUSP3 P51452 1/20 0.49
PTPN5 P54829 1/20 0.49
PTPN11 Q06124 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
POLB P06746 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
HSD17B10 Q99714 1/20 0.46
HTR1A P08908 2/20 0.45
HTR1D P28221 2/20 0.45
HTR1B P28222 2/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45

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
SCHEMBL4307557 0.94 KDM4E (0.52) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL4310718 0.84 KDM4E (0.68) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL15134852 0.83 RAB9A (0.71) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL4302850 0.83 FAAH (0.47) MAPTSMN1; SMN2POLBNPSR1TDP1
SCHEMBL2218360 0.83 KDM4E (0.51) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL24381873 0.83 KDM4E (0.54) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL4312827 0.81 CA12 (0.56) ALDH1A1SMN1; SMN2DUSP3PTPN5PTPN11
SCHEMBL4301473 0.81 KDM4E (0.59) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL5466334 0.81 TAS1R3 (0.65) KDM4EMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL4303277 0.80 KDM4E (0.58) KDM4EMAPTALDH1A1SMN1; SMN2POLB

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.