SCHEMBL4525015

SCHEMBL4525015

O=C1C2CC(O)C(O)CC2C(=O)N1CCCN1CCN(c2ccccc2OC2CCCC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.55
DRD2 P14416 5/20 0.55
HTR2A P28223 3/20 0.55
HTR7 P34969 4/20 0.53
HTR6 P50406 1/20 0.52
DRD3 P35462 2/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX12 P18054 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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 SCHEMBL4527605 0.99 HTR1A (0.54) HTR1ADRD2HTR2AHTR7HTR6
Phosphoric Acid SCHEMBL5328539 0.96 HTR1A (0.52) HTR1ADRD2HTR2AHTR7HTR6
Succinic Acid SCHEMBL5323912 0.94 HTR1A (0.50) HTR1ADRD2HTR2AHTR7HTR6
Fumaric Acid SCHEMBL5326379 0.94 HTR1A (0.50) HTR1ADRD2HTR2AHTR7HTR6
Cadaverine Tartrate SCHEMBL5330192 0.94 HTR1A (0.49) HTR1ADRD2HTR2AHTR7HTR6
Maleic Acid SCHEMBL5326369 0.94 HTR1A (0.50) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL4527313 0.93 HTR1A (0.49) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL4530721 0.93 HTR1A (0.49) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL4522586 0.92 HTR1A (0.51) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL4517673 0.91 HTR1A (0.51) HTR1ADRD2HTR2AHTR7HTR6

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 16/4885DRD2 182/4885HTR2A 22/4885

“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.