SCHEMBL5452260

SCHEMBL5452260

C[CH]CN1CCN(c2cccc(N)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
HTR3A P46098 6/20 0.41
HTR3E A5X5Y0 4/20 0.41
HTR3B O95264 4/20 0.41
HTR3D Q70Z44 4/20 0.41
HTR3C Q8WXA8 4/20 0.41
KCNH2 Q12809 2/20 0.40
HRH3 Q9Y5N1 2/20 0.39
DRD2 P14416 4/20 0.38
DRD3 P35462 4/20 0.38
DRD4 P21917 1/20 0.37
HTR1A P08908 1/20 0.36
RAD52 P43351 1/20 0.36
HRH4 Q9H3N8 1/20 0.36

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 0.83 HRH3 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4500980 0.80 GRIN2D (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5452265 0.80 DRD2 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4484074 0.78 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3154750 0.77 HTR3A (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31052529 0.77 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL27910303 0.76 MAPT (0.39) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL17610057 0.76 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5458684 0.75 OGA (0.44) MEN1TSHRKMT2A
SCHEMBL465738 0.75 GRIN2D (0.57) 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 GRIN2D 1383/4885GRIN3B 429/4885GRIN1 900/4885

“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.