SCHEMBL2333743

SCHEMBL2333743

Nc1c(Cl)cc(C(=O)NCC2CCN(CC3CCOCC3)CC2)c2occc12

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 12/20 0.46
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
ACHE P22303 2/20 0.41
NSD2 O96028 1/20 0.41
IL1B P01584 1/20 0.41
P2RX7 Q99572 1/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40

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
SCHEMBL8235725 0.95 IL1B (0.42) HTR4ACHENSD2IL1BP2RX7
SCHEMBL5331325 0.91 HTR4 (0.41) HTR4CYP3A4CYP2D6
SCHEMBL17978241 0.88 HTR4 (0.47) HTR4CYP3A4CYP2D6NSD2IL1B
Hydrochloric Acid SCHEMBL17978334 0.87 HTR4 (0.46) HTR4CYP3A4CYP2D6NSD2IL1B
SCHEMBL2337252 0.87 ALDH1A1 (0.46) HTR4IL1BP2RX7
SCHEMBL2334596 0.87 ALDH1A1 (0.46) HTR4IL1BP2RX7
SCHEMBL2332582 0.87 ALDH1A1 (0.46) HTR4IL1BP2RX7
SCHEMBL17978238 0.84 HTR4 (0.45) HTR4NSD2DRD2DRD4DRD3
SCHEMBL7325370 0.84 NR4A2 (0.54) HTR4CYP3A4CYP2D6DRD3
SCHEMBL16097966 0.81 HTR3E (0.53) HTR4CYP3A4CYP2D6DRD2DRD4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120322826-A1 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA RQUALIA PHAMRA INC. (JP) 2012-12-20 US claimed
EP-2533780-A1 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA RaQualia Pharma Inc (JP) 2012-12-19 EP claimed
WO-2011099305-A1 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA RAQUALIA PHARMA INC. (JP) 2011-08-18 WO claimed
EP-2533780-B1 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA ASKAT INC (JP) 2017-08-23 EP disclosed
US-8980922-B2 5-HT4 receptor agonists for the treatment of dementia RAQUALIA PHARMA INC. (JP) 2015-03-17 US disclosed
US-20120322826-A1 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA RQUALIA PHAMRA INC. (JP) 2012-12-20 US disclosed
EP-2533780-A1 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA RaQualia Pharma Inc (JP) 2012-12-19 EP disclosed
WO-2011099305-A1 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA RAQUALIA PHARMA INC. (JP) 2011-08-18 WO disclosed
WO-2007048643-A1 NOVEL COMPOUND GLAXO GROUP LIMITED (GB) 2007-05-03 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 (1 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-20120322826-A1 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA HTR4, HTR5A, HTR1A HTR4 1/4885CYP3A4 688/4885CYP2D6 1814/4885

“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.