SCHEMBL5452265

SCHEMBL5452265

CCCN1CCN(c2cccc(N)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.50
SIGMAR1 Q99720 1/20 0.50
KCNH2 Q12809 2/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GRIN3A Q8TCU5 1/20 0.47
DRD3 P35462 1/20 0.47
HTR3E A5X5Y0 3/20 0.45
HTR3B O95264 3/20 0.45
HTR3A P46098 3/20 0.45
HTR3D Q70Z44 3/20 0.45
HTR3C Q8WXA8 3/20 0.45
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
GBA1 P04062 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL24322998 0.87 HRH3 (0.56) KCNH2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31052529 0.84 GRIN2D (0.47) DRD2KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL3154750 0.82 HTR3A (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14834267 0.81 DRD2 (0.50) DRD2SIGMAR1KCNH2DRD3HTR3E
SCHEMBL5452260 0.80 GRIN2D (0.46) DRD2KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL4484074 0.79 GRIN2D (0.48) KCNH2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL17610057 0.77 GRIN2D (0.46) DRD2KCNH2GRIN2DGRIN3BGRIN1
SCHEMBL1809857 0.76 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL465738 0.76 GRIN2D (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2252097 0.74 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917262-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-12-14 EP 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 DRD2 1137/4885SIGMAR1 58/4885KCNH2 157/4885

“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.