SCHEMBL4522919

SCHEMBL4522919

O=C1CCCC(=O)N1CC(O)CN1CCN(c2cc(F)ccc2OC2CCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.42
HTR7 P34969 12/20 0.42
DRD2 P14416 11/20 0.42
HTR6 P50406 2/20 0.41
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
PDE4D Q08499 3/20 0.38

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 SCHEMBL4525100 0.99 HTR1A (0.43) HTR1AHTR7DRD2HTR6ADRB2
SCHEMBL5599463 0.90 HTR1A (0.44) HTR1AHTR7DRD2HTR6ADRB2
SCHEMBL5598874 0.90 HTR1A (0.44) HTR1AHTR7DRD2HTR6ADRB2
SCHEMBL5598889 0.90 HTR1A (0.44) HTR1AHTR7DRD2HTR6ADRB2
Hydrochloric Acid SCHEMBL5599083 0.89 HTR1A (0.45) HTR1AHTR7DRD2HTR6DRD1
SCHEMBL4537694 0.89 HTR1A (0.42) HTR1AHTR7DRD2HTR6DRD1
Hydrochloric Acid SCHEMBL4528897 0.88 HTR1A (0.43) HTR1AHTR7DRD2HTR6DRD1
SCHEMBL4517476 0.86 HTR1A (0.41) HTR1AHTR7DRD2HTR6DRD1
SCHEMBL4517551 0.86 HTR1A (0.41) HTR1AHTR7DRD2HTR6DRD1
Phosphoric Acid SCHEMBL5301610 0.85 HTR1A (0.40) HTR1AHTR7DRD2HTR6DRD1

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.