SCHEMBL4522960

SCHEMBL4522960

O=C1CCCC(=O)N1CCCN1CCN(c2ccccc2OC2CCCC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.61
HTR7 P34969 3/20 0.61
MEN1 O00255 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
KMT2A Q03164 1/20 0.61
ADRA1D P25100 5/20 0.55
ADRA1A P35348 5/20 0.55
ADRA1B P35368 5/20 0.55
DRD2 P14416 2/20 0.52
DRD3 P35462 2/20 0.52
DRD4 P21917 1/20 0.52

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 SCHEMBL4524619 0.99 HTR1A (0.60) HTR1AHTR7MEN1CYP1A2CYP2C9
SCHEMBL5592219 0.97 HTR7 (0.64) HTR1AHTR7MEN1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL5592239 0.96 HTR7 (0.62) HTR1AHTR7MEN1CYP1A2CYP2C9
SCHEMBL4538417 0.87 ADRA1B (0.48) HTR1AHTR7MEN1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL4530220 0.86 ADRA1B (0.48) HTR1AHTR7MEN1CYP1A2CYP2C9
SCHEMBL5424281 0.86 HTR1A (0.56) HTR1AHTR7MEN1CYP1A2CYP2C9
SCHEMBL5422132 0.86 DRD2 (0.59) HTR1AHTR7MEN1CYP1A2CYP2C9
SCHEMBL6072836 0.85 HTR1A (0.51) HTR1AHTR7MEN1CYP1A2CYP2C9
SCHEMBL5430526 0.85 HTR1A (0.57) HTR1AHTR7MEN1CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL5437059 0.85 DRD2 (0.58) HTR1AHTR7MEN1CYP1A2CYP2C9

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 6 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
EP-1758583-A2 ARYLPIPERAZINE DERIVATIVES USEFUL AS ADRENERGIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-03-07 EP claimed
WO-2005118537-A2 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2005-12-15 WO 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 125/4885MEN1 3296/4885

“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.