SCHEMBL4498304

SCHEMBL4498304

CC(N)CN1CCN(c2nccc(N)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.48
ACHE P22303 6/20 0.39
KDM1A O60341 1/20 0.39
SORD Q00796 1/20 0.39
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.36
PANK3 Q9H999 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
SCHEMBL4327178 0.82 KDM4E (0.49) MAPTKDM4E
Hydrochloric Acid SCHEMBL4483202 0.80 KDM4E (0.48) MAPTKDM4E
SCHEMBL5458689 0.79 ACHE (0.56) OGAACHEMAPT
SCHEMBL5458684 0.78 OGA (0.44) OGAACHEKDM1AKDM4E
SCHEMBL29958994 0.77 HRH4 (0.56) OGAACHE
SCHEMBL4948656 0.77 HRH4 (0.56) OGAACHE
SCHEMBL15740608 0.77 OGA (0.42) OGAACHEKDM1ASORDKDM4E
SCHEMBL4723792 0.77 OGA (0.56) OGAACHEKDM1ASORD
SCHEMBL4484074 0.75 GRIN2D (0.48) KDM4E
SCHEMBL4505689 0.75 ACHE (0.43) ACHE

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 5 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-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
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 OGA 1681/4885ACHE 1245/4885KDM1A 1449/4885

“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.