SCHEMBL4222345

SCHEMBL4222345

COc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)c2c1C[C@@H](N)CC2

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.53
SMPD3 Q9NY59 1/20 0.44
ALDH1A1 P00352 2/20 0.44
STS P08842 1/20 0.43
TP53 P04637 1/20 0.43
PDE4B Q07343 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
GPR119 Q8TDV5 4/20 0.42
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL4210773 0.86 ADRA1A (0.58) ADRA1AALDH1A1DRD2DRD3LMNA
SCHEMBL4222227 0.84 GPR119 (0.45) ALDH1A1GPR119LMNAMAPT
SCHEMBL14591361 0.82 KDM1A (0.47) ALDH1A1GPR119LMNAMAPT
SCHEMBL14591362 0.82 KDM1A (0.47) ALDH1A1GPR119LMNAMAPT
SCHEMBL4221097 0.81 ALDH1A1 (0.44) SMPD3ALDH1A1STSTP53PDE4B
SCHEMBL4212633 0.80 ADRA1A (0.66) ADRA1ADRD2DRD3
SCHEMBL20722901 0.76 DPP4 (0.45) TP53GPR119LMNAMAPT
SCHEMBL30061913 0.76 DPP4 (0.45) TP53GPR119LMNAMAPT
SCHEMBL7246642 0.75 ADRA1A (0.66) ADRA1ADRD2DRD3
SCHEMBL6819833 0.75 ADRA1A (0.66) ADRA1ADRD2DRD3

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-20090054453-A1 Novel Tetralins as 5-HT6 Modulators ASTRAZENECA AB (SE) 2009-02-26 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-20090054453-A1 Novel Tetralins as 5-HT6 Modulators HTR6, TPH1, HTR1A ADRA1A 75/4885SMPD3 2949/4885ALDH1A1 3256/4885

“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.