SCHEMBL4513562

SCHEMBL4513562

N#Cc1ccc(N2CCN(CCC3CCN(C(=O)O)CC3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.54
POLB P06746 1/20 0.49
CCR5 P51681 2/20 0.48
HTR7 P34969 3/20 0.48
DRD2 P14416 4/20 0.48
DRD3 P35462 4/20 0.48
PRKAA2 P54646 1/20 0.46
HTR1A P08908 1/20 0.45

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
SCHEMBL4500313 0.86 CHRM4 (0.58) CHRM4DRD2DRD3
SCHEMBL4522460 0.85 GPR119 (0.55) CHRM4HTR7
SCHEMBL3844960 0.84 CHRM4 (0.50) CHRM4POLBCCR5HTR7DRD2
SCHEMBL3487510 0.82 KDM4E (0.47) CHRM4POLB
SCHEMBL1779457 0.80 KDM4E (0.59) CHRM4POLB
SCHEMBL4755524 0.80 DRD2 (0.50) DRD2DRD3
SCHEMBL4514129 0.80 DRD2 (0.58) DRD2DRD3HTR1A
SCHEMBL4701304 0.79 DRD2 (0.49) DRD2DRD3HTR1A
SCHEMBL4484274 0.78 DRD3 (0.60) DRD2DRD3
SCHEMBL13630214 0.78 DRD3 (0.60) DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203676-A1 G-protein Coupled Receptor Agonists PROSIDION LIMITED (GB) 2009-08-13 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-20090203676-A1 G-protein Coupled Receptor Agonists GPR119, GCGR, GPBAR1 CHRM4 522/4885POLB 4473/4885CCR5 902/4885

“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.