SCHEMBL5209152

SCHEMBL5209152

O=C(NC1CCC1)c1ccc(N2CCC(OC3CCN(C4CCC4)CC3)CC2)cn1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.56
PARP1 P09874 9/20 0.46
ACKR3 P25106 1/20 0.45
PRKAA2 P54646 2/20 0.44

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
SCHEMBL5211332 0.99 HRH3 (0.56) HRH3PARP1ACKR3PRKAA2
SCHEMBL5212438 0.88 HRH3 (0.60) HRH3PARP1
SCHEMBL5210318 0.87 HRH3 (0.59) HRH3PARP1
Hydrochloric Acid SCHEMBL5211935 0.87 HRH3 (0.59) HRH3PARP1
SCHEMBL5210726 0.86 HRH3 (0.55) HRH3PARP1
SCHEMBL5212345 0.86 HRH3 (0.53) HRH3PARP1
SCHEMBL5212817 0.85 HRH3 (0.61) HRH3
SCHEMBL5210417 0.85 HRH3 (0.56) HRH3PARP1ACKR3PRKAA2
SCHEMBL5213489 0.85 HRH3 (0.57) HRH3PARP1
Hydrochloric Acid SCHEMBL5212707 0.85 HRH3 (0.52) HRH3PARP1

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-1646620-B1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2007-08-15 EP claimed
EP-1646620-B1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LTD (GB) 2007-08-15 EP disclosed
US-20060247227-A1 Substituted piperidines as histamine h3 receptor ligands BAILEY JAMES M 2006-11-02 US disclosed
EP-1646620-A1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2006-04-19 EP disclosed
WO-2005014571-A1 SUBSTITUTED PIPERIDINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2005-02-17 WO 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-20060247227-A1 Substituted piperidines as histamine h3 receptor ligands HRH3, HRH4, HRH1 HRH3 1/4885PARP1 1880/4885ACKR3 438/4885

“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.