SCHEMBL2331334

SCHEMBL2331334

Nc1c(Cl)cc(C(=O)NCC2CCN(C[C@@H]3CCCO3)CC2)c2c1OCCO2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.47
HTR3A P46098 4/20 0.47
HTR2C P28335 2/20 0.47
HTR3E A5X5Y0 2/20 0.47
HTR3B O95264 2/20 0.47
HTR3D Q70Z44 2/20 0.47
HTR3C Q8WXA8 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ADRA2C P18825 2/20 0.47
ADRA1A P35348 2/20 0.47
LMNA P02545 1/20 0.47
ADRA2A P08913 1/20 0.47
THRB P10828 1/20 0.47
HTR1D P28221 1/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
DRD3 P35462 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
SCHEMBL2329698 1.00 HTR4 (0.47) HTR4HTR3AHTR2CHTR3EHTR3B
SCHEMBL2335322 1.00 HTR4 (0.47) HTR4HTR3AHTR2CHTR3EHTR3B
SCHEMBL2329533 0.91 HTR4 (0.51) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL2329530 0.91 HTR4 (0.51) HTR4HTR3AHTR3EHTR3BHTR3D
SCHEMBL8235737 0.87 ALDH1A1 (0.48) HTR4ALDH1A1IL1BP2RX7HPGD
SCHEMBL5364954 0.84 HTR4 (0.48) HTR4HTR3AHTR2CHTR3EHTR3B
SCHEMBL5364948 0.84 HTR4 (0.48) HTR4HTR3AHTR2CHTR3EHTR3B
SCHEMBL2337252 0.82 ALDH1A1 (0.46) HTR4ALDH1A1IL1BP2RX7HPGD
SCHEMBL2334596 0.82 ALDH1A1 (0.46) HTR4ALDH1A1IL1BP2RX7HPGD
SCHEMBL2332582 0.82 ALDH1A1 (0.46) HTR4ALDH1A1IL1BP2RX7HPGD

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 8 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

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 1/4885HTR3A 14/4885HTR2C 12/4885

“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.