SCHEMBL4305684

SCHEMBL4305684

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.73
MAPT P10636 2/20 0.73
POLB P06746 1/20 0.73
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
KDM4E B2RXH2 2/20 0.58
PKM P14618 1/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RECQL P46063 1/20 0.53
HRH4 Q9H3N8 1/20 0.51
HTR1A P08908 2/20 0.50
HTR1D P28221 2/20 0.50
HTR1B P28222 2/20 0.50
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
HTR6 P50406 2/20 0.50
GOT1 P17174 1/20 0.50
PDGFRB P09619 1/20 0.50
CNR2 P34972 1/20 0.49

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
SCHEMBL4300543 0.94 MAPT (0.74) NPSR1MAPTPOLBKMT2AMEN1
SCHEMBL14372215 0.91 MAPT (0.60) NPSR1MAPTPOLBKMT2AMEN1
SCHEMBL4308463 0.84 KMT2A (0.76) NPSR1MAPTKMT2AMEN1KDM4E
SCHEMBL1575544 0.84 NPSR1 (0.56) NPSR1MAPTPOLBKMT2AMEN1
SCHEMBL13234926 0.83 LMNA (0.67) MAPTPOLBKMT2AMEN1KDM4E
SCHEMBL4302256 0.83 MAPT (0.63) NPSR1MAPTPOLBKMT2AMEN1
SCHEMBL12893596 0.81 MAPT (0.65) NPSR1MAPTPOLBKMT2AMEN1
SCHEMBL4300945 0.81 NPSR1 (0.65) NPSR1MAPTPOLBKMT2AMEN1
SCHEMBL4301473 0.81 KDM4E (0.59) MAPTPOLBKDM4EALDH1A1SMN1; SMN2
SCHEMBL4303277 0.80 KDM4E (0.58) NPSR1MAPTPOLBKMT2AKDM4E

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 7 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
US-20070249618-A1 Novel Piperidine Derivatives as Histamine H3 Receptor Ligands for Treatment of Depression ASTRAZENECA AB (SE) 2007-10-25 US disclosed
US-20070249618-A1 Novel Piperidine Derivatives as Histamine H3 Receptor Ligands for Treatment of Depression ASTRAZENECA AB (SE) 2007-10-25 US disclosed
US-20070249618-A1 Novel Piperidine Derivatives as Histamine H3 Receptor Ligands for Treatment of Depression ASTRAZENECA AB (SE) 2007-10-25 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 (3 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-20070249618-A1 Novel Piperidine Derivatives as Histamine H3 Receptor Ligands for Treatment of Depression HRH3, HRH1, HRH4 NPSR1 64/4885MAPT 2563/4885POLB 3518/4885
US-20090118303-A1 SEROTONIN 5-HT3 RECEPTOR AGONIST HTR3A, HTR7, HTR1A NPSR1 24/4885MAPT 4268/4885POLB 4738/4885
US-20070265277-A1 Serotonin 5-Ht3 Receptor Agonist HTR3A, HTR7, HTR1A NPSR1 24/4885MAPT 4268/4885POLB 4738/4885

“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.