SCHEMBL5458684

SCHEMBL5458684

C[CH]CN1CCN(c2nccc(N)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.44
KDM1A O60341 1/20 0.40
ACHE P22303 5/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
SUV39H2 Q9H5I1 1/20 0.36
PTPN11 Q06124 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 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
SCHEMBL15740608 0.87 OGA (0.42) OGAKDM1AACHEPIK3CDPIK3R1
SCHEMBL4498299 0.81 OGA (0.38) OGAKDM1AACHEPTPN11KDM4E
SCHEMBL5458689 0.81 ACHE (0.56) OGAACHEPTPN11LMNA
SCHEMBL3910163 0.79 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL4498304 0.78 OGA (0.48) OGAKDM1AACHEKDM4E
SCHEMBL29958994 0.78 HRH4 (0.56) OGAACHE
SCHEMBL4948656 0.78 HRH4 (0.56) OGAACHE
SCHEMBL10187275 0.76 KDM1A (0.48) OGAKDM1AACHEPIK3CDPIK3R1
SCHEMBL4947574 0.76 KDM1A (0.48) OGAKDM1AACHEPIK3CDPIK3R1
SCHEMBL5452260 0.75 GRIN2D (0.46) MEN1KMT2ATSHR

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 OGA 1681/4885KDM1A 1449/4885ACHE 1245/4885

“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.