SCHEMBL4300945

SCHEMBL4300945

O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN(CCO)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.65
MAPT P10636 3/20 0.65
POLB P06746 1/20 0.65
PKM P14618 1/20 0.60
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
TSHR P16473 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 2/20 0.49
NAMPT P43490 1/20 0.49
FAAH O00519 6/20 0.49
MEN1 O00255 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL4308429 0.95 NPSR1 (0.68) NPSR1MAPTPOLBPKMCA12
SCHEMBL4302256 0.87 MAPT (0.63) NPSR1MAPTPOLBPKMKDM4E
SCHEMBL4301359 0.86 KDM4E (0.70) NPSR1MAPTCA12CA1CA2
SCHEMBL4298556 0.82 NPSR1 (0.67) NPSR1MAPTPOLBPKMKDM4E
SCHEMBL4302778 0.82 CA12 (0.56) NPSR1CA12CA1CA2CA9
SCHEMBL4312827 0.82 CA12 (0.56) NPSR1CA12CA1CA2CA9
SCHEMBL4305684 0.81 NPSR1 (0.73) NPSR1MAPTPOLBPKMKDM4E
SCHEMBL4305842 0.80 NPSR1 (0.61) NPSR1MAPTPOLBPKMKDM4E
SCHEMBL4303035 0.80 MAPT (0.61) NPSR1MAPTPOLBPKM
SCHEMBL4304723 0.78 CA12 (0.52) NPSR1MAPTPOLBPKMCA12

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
EP-1699453-A4 CYCLIC GUANIDINES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2009-07-01 EP disclosed
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
EP-1699453-A1 CYCLIC GUANIDINES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2006-09-13 EP disclosed
WO-2005065680-A1 CYCLIC GUANIDINES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2005-07-21 WO 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 24/4885MAPT 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.