SCHEMBL4509537

SCHEMBL4509537

CCOC(=O)c1ccc(N2CCN(CCC3CCN(C(=O)O)CC3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
HTR1A P08908 1/20 0.48
HTR2A P28223 1/20 0.48
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 1/20 0.43
NPY2R P49146 1/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL3849915 0.88 MAPT (0.49) ALDH1A1TSHRDRD2DRD3HTR1A
SCHEMBL4523959 0.88 GPR119 (0.56) ALDH1A1TSHRDRD2DRD3HTR1A
SCHEMBL2723301 0.83 MAPT (0.58) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL4755524 0.81 DRD2 (0.50) DRD2DRD3HTR2A
SCHEMBL4503964 0.81 CHRNA10 (0.51) ALDH1A1DRD2DRD3HTR1A
SCHEMBL4701304 0.80 DRD2 (0.49) DRD2DRD3HTR1AHTR2A
SCHEMBL8205972 0.80 ALDH1A1 (0.58) ALDH1A1TSHRDRD2TDP1MEN1
SCHEMBL24754432 0.79 HTT (0.50) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL4514129 0.79 DRD2 (0.58) ALDH1A1DRD2DRD3HTR1AMEN1
SCHEMBL22015905 0.78 HPGD (0.65) ALDH1A1TSHRTDP1MEN1KMT2A

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 ALDH1A1 1188/4885TSHR 209/4885DRD2 1031/4885

“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.