SCHEMBL2332582

SCHEMBL2332582

Nc1c(Cl)cc(C(=O)NCC2CCN(CC3CCCO3)CC2)c2occc12

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
IL1B P01584 4/20 0.43
P2RX7 Q99572 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.41
HTR4 Q13639 3/20 0.41
ATM Q13315 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 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
SCHEMBL2334596 1.00 ALDH1A1 (0.46) ALDH1A1IL1BP2RX7SMN1; SMN2HPGD
SCHEMBL2337252 1.00 ALDH1A1 (0.46) ALDH1A1IL1BP2RX7SMN1; SMN2HPGD
SCHEMBL2333743 0.87 HTR4 (0.46) IL1BP2RX7HTR4
SCHEMBL8235725 0.85 IL1B (0.42) IL1BP2RX7HTR4
SCHEMBL8235737 0.84 ALDH1A1 (0.48) ALDH1A1IL1BP2RX7SMN1; SMN2HPGD
SCHEMBL19453109 0.82 HTR3E (0.51) ALDH1A1IL1BP2RX7SMN1; SMN2HPGD
SCHEMBL16098421 0.82 HTR3E (0.51) ALDH1A1IL1BP2RX7SMN1; SMN2HPGD
SCHEMBL2335322 0.82 HTR4 (0.47) ALDH1A1IL1BP2RX7HPGDHTR4
SCHEMBL2329698 0.82 HTR4 (0.47) ALDH1A1IL1BP2RX7HPGDHTR4
SCHEMBL2331334 0.82 HTR4 (0.47) ALDH1A1IL1BP2RX7HPGDHTR4

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 11 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
CN-102753172-A 5-HT4 receptor agonists for the treatment of dementia RAQUALIA PHARMA INC 2012-10-24 CN 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
CN-102753172-A 5-HT4 receptor agonists for the treatment of dementia RAQUALIA PHARMA INC 2012-10-24 CN disclosed
WO-2011099305-A1 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF DEMENTIA RAQUALIA PHARMA INC. (JP) 2011-08-18 WO disclosed
WO-2007068739-A1 4-AMINO-BENZAMIDE DERIVATIVES AS 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL, NEUROLOGICAL AND CARDIOVASCULAR DISORDERS GLAXO GROUP LIMITED (GB) 2007-06-21 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 (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 ALDH1A1 2091/4885IL1B 1554/4885P2RX7 436/4885

“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.