SCHEMBL4491138

SCHEMBL4491138

CCCCOC(=O)NC(C)CC1CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.42
ITGA2B P08514 7/20 0.42
HRH3 Q9Y5N1 9/20 0.40
HRH4 Q9H3N8 4/20 0.40
TLR2 O60603 1/20 0.39
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39

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
SCHEMBL7051358 0.77 GNAI3 (0.49) GNAI3GNAO1GNAI1
SCHEMBL4064294 0.75 CPN1 (0.49) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL4504589 0.74 KDM4E (0.44) ITGB3ITGA2BHRH3HRH4
SCHEMBL953293 0.74 GNAI3 (0.55) GNAI3GNAO1GNAI1
SCHEMBL4499378 0.74 BCHE (0.53)
SCHEMBL6987278 0.73 CNR2 (0.39) ITGB3ITGA2B
SCHEMBL2456560 0.73 ITGB3 (0.42) ITGB3ITGA2B
SCHEMBL6984792 0.73 ITGB3 (0.42) ITGB3ITGA2B
SCHEMBL22300261 0.73 CPN1 (0.44) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL12164736 0.73 EPHX1 (0.44) HRH3HRH4

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
CN-102659774-A Piperidine and piperazine derivatives as P2X3 antagonists HOFFMANN LA ROCHE 2012-09-12 CN disclosed
EP-1917262-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed
US-7491821-B2 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders ROCHE PALO ALTO LLC (US) 2009-02-17 US disclosed
CN-101282972-A Piperidine and piperazine derivatives as P2X3 antagonists HOFFMANN LA ROCHE (CH) 2008-10-08 CN disclosed
EP-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 US 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-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 ITGB3 737/4885ITGA2B 1760/4885HRH3 139/4885

“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.