SCHEMBL4308463

SCHEMBL4308463

CN1CCN(C(=O)Nc2cccc(Cl)c2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.76
NPSR1 Q6W5P4 2/20 0.76
ALDH1A1 P00352 2/20 0.76
MEN1 O00255 2/20 0.76
RECQL P46063 1/20 0.76
LMNA P02545 2/20 0.70
KDM4E B2RXH2 4/20 0.68
MAPT P10636 6/20 0.67
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
TSHR P16473 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CASP3 P42574 1/20 0.64
SENP8 Q96LD8 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
SENP6 Q9GZR1 1/20 0.64
GAA P10253 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
MAPK1 P28482 1/20 0.59
FAAH O00519 2/20 0.58

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
SCHEMBL4306285 0.95 KMT2A (0.77) KMT2ANPSR1ALDH1A1MEN1RECQL
SCHEMBL28273734 0.92 MEN1 (0.88) KMT2ANPSR1ALDH1A1MEN1RECQL
SCHEMBL22217664 0.87 MEN1 (0.78) KMT2ANPSR1ALDH1A1MEN1RECQL
SCHEMBL11641875 0.86 NPSR1 (1.00) KMT2ANPSR1ALDH1A1MEN1RECQL
SCHEMBL1575467 0.86 KMT2A (0.60) KMT2ANPSR1ALDH1A1MEN1RECQL
SCHEMBL12476809 0.85 MEN1 (0.97) KMT2ANPSR1ALDH1A1MEN1RECQL
SCHEMBL20236164 0.85 NPSR1 (0.70) KMT2ANPSR1ALDH1A1MEN1RECQL
SCHEMBL20236529 0.85 MAPT (0.71) KMT2ANPSR1ALDH1A1MEN1RECQL
SCHEMBL4305684 0.84 NPSR1 (0.73) KMT2ANPSR1ALDH1A1MEN1RECQL
SCHEMBL22218860 0.84 ALDH1A1 (0.74) KMT2ANPSR1ALDH1A1MEN1RECQL

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 5 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
CN-101039927-A 5-hydroxytryptamine 5-HT 3 receptor agonists RES FOUND ITSUU LAB (JP) 2007-09-19 CN 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 KMT2A 3181/4885NPSR1 24/4885ALDH1A1 2805/4885
US-20070265277-A1 Serotonin 5-Ht3 Receptor Agonist HTR3A, HTR7, HTR1A KMT2A 3181/4885NPSR1 24/4885ALDH1A1 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.