SCHEMBL2720908

SCHEMBL2720908

O=C(c1ccoc1)N1CCCCC1c1nc(-c2cccc(Cl)c2)no1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 16/20 0.70
HCRTR1 O43613 2/20 0.67
HCRTR2 O43614 2/20 0.67

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
SCHEMBL16463797 0.97 HCRTR1 (0.71) GRM5HCRTR1HCRTR2
SCHEMBL16463794 0.97 HCRTR1 (0.71) GRM5HCRTR1HCRTR2
SCHEMBL2721615 0.89 GRM5 (0.75) GRM5HCRTR1HCRTR2
SCHEMBL2722074 0.86 GRM5 (0.61) GRM5
SCHEMBL5332345 0.86 GRM5 (0.71) GRM5HCRTR1HCRTR2
SCHEMBL28780313 0.85 GRM5 (0.80) GRM5HCRTR1HCRTR2
SCHEMBL16464305 0.85 GRM5 (0.61) GRM5HCRTR1HCRTR2
SCHEMBL16464304 0.85 GRM5 (0.61) GRM5HCRTR1HCRTR2
SCHEMBL2722960 0.85 GRM5 (0.70) GRM5HCRTR1HCRTR2
SCHEMBL5333513 0.84 GRM5 (0.94) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630135-B1 1-(HETEROCYCLIC CARBONYL) PIPERIDINES BAYER IP GMBH (DE) 2020-03-04 EP claimed
US-20130261155-A1 1-(HETEROCYCLIC CARBONYL) PIPERIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 US claimed
EP-2630135-A1 1-(HETEROCYCLIC CARBONYL) PIPERIDINES Bayer Intellectual Property GmbH (DE) 2013-08-28 EP claimed
WO-2012052489-A1 1-(HETEROCYCLIC CARBONYL) PIPERIDINES BAYER CROPSCIENCE AG (DE) 2012-04-26 WO claimed
EP-2630135-B1 1-(HETEROCYCLIC CARBONYL) PIPERIDINES BAYER IP GMBH (DE) 2020-03-04 EP disclosed
US-9545105-B2 1-(heterocyclic carbonyl) piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-01-17 US disclosed
US-20130261155-A1 1-(HETEROCYCLIC CARBONYL) PIPERIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 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-20130261155-A1 1-(HETEROCYCLIC CARBONYL) PIPERIDINES CBR3, CBR1, CYP51A1 GRM5 1881/4885HCRTR1 2648/4885HCRTR2 3589/4885

“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.