SCHEMBL4521352

SCHEMBL4521352

CCCOc1ccc(F)cc1N1CCN(CC(O)CN2C(=O)CCCC2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.47
HTR7 P34969 11/20 0.47
DRD2 P14416 10/20 0.47
HSP90AB1 P08238 1/20 0.47
DRD1 P21728 1/20 0.45
DRD3 P35462 1/20 0.45
HTR6 P50406 2/20 0.43
ADRA1B P35368 2/20 0.41
ABCB1 P08183 1/20 0.40

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
Hydrochloric Acid SCHEMBL4517586 0.99 HTR1A (0.47) HTR1AHTR7DRD2HSP90AB1DRD1
SCHEMBL4528441 0.86 ADRA1D (0.53) HTR1AHTR7DRD2HTR6ADRA1B
Hydrochloric Acid SCHEMBL4534062 0.85 ADRA1D (0.52) HTR1AHTR7DRD2HTR6ADRA1B
SCHEMBL4516386 0.83 ADRA1B (0.50) HTR1AHTR7DRD2DRD3ADRA1B
SCHEMBL4522919 0.83 HTR1A (0.42) HTR1AHTR7DRD2DRD1DRD3
Hydrochloric Acid SCHEMBL4524800 0.82 ADRA1B (0.49) HTR1AHTR7DRD2DRD3ADRA1B
SCHEMBL5592209 0.82 HTR1A (0.51) HTR1AHTR7DRD2DRD3HTR6
Hydrochloric Acid SCHEMBL4525100 0.82 HTR1A (0.43) HTR1AHTR7DRD2DRD1DRD3
Hydrochloric Acid SCHEMBL5592289 0.82 ADRA1B (0.50) HTR1AHTR7DRD2DRD3HTR6
SCHEMBL5598889 0.80 HTR1A (0.44) HTR1AHTR7DRD2HSP90AB1DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-17 US claimed
US-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-17 US disclosed
EP-1758583-A2 ARYLPIPERAZINE DERIVATIVES USEFUL AS ADRENERGIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-03-07 EP disclosed
WO-2005118537-A2 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2005-12-15 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-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS ADRA1D, ADRB1, ADRA1A HTR1A 16/4885HTR7 125/4885DRD2 182/4885

“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.