SCHEMBL4501136

SCHEMBL4501136

Nc1cccc(N2CCNCC2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.64
HTR3B O95264 3/20 0.64
HTR3A P46098 3/20 0.64
HTR3D Q70Z44 3/20 0.64
HTR3C Q8WXA8 3/20 0.64
ALDH1A1 P00352 2/20 0.64
HRH3 Q9Y5N1 1/20 0.57
PLD1 Q13393 1/20 0.53
ADRB1 P08588 2/20 0.53
HTR6 P50406 2/20 0.53
HTR2C P28335 2/20 0.53
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
HTR1A P08908 1/20 0.53
MAPK1 P28482 1/20 0.53
SLC6A4 P31645 1/20 0.53
HTR7 P34969 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL1809857 0.82 GRIN2D (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL465738 0.82 GRIN2D (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL6242154 0.81 HTR3E (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2253010 0.81 GRIN2D (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2252097 0.81 GRIN2D (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL28876577 0.79 GRIN2D (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL23770804 0.78 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3154750 0.78 HTR3A (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2586058 0.78 HTR3E (0.64) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL615260 0.78 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C

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
WO-2023072301-A1 PYRAZOLO[3,4-D]PYRIMIDIN-3-ONE COMPOUND AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 2023-05-04 WO disclosed
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 HTR3E 71/4885HTR3B 68/4885HTR3A 63/4885

“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.