SCHEMBL4535208

SCHEMBL4535208

O=C1c2ccccc2C(=O)N1CC(O)CN1CCN(c2ccccc2OC2CCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.50
HTR1A P08908 5/20 0.50
HTR7 P34969 5/20 0.50
DRD3 P35462 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 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
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RECQL P46063 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL4528199 0.90 HTR1A (0.50) DRD2HTR1AHTR7
Hydrochloric Acid SCHEMBL4526590 0.89 HTR1A (0.49) DRD2HTR1AHTR7RECQL
SCHEMBL4516528 0.87 HTR1A (0.48) DRD2HTR1AHTR7ADRA1BRECQL
Phosphoric Acid SCHEMBL5337828 0.86 HTR1A (0.47) DRD2HTR1AHTR7
Succinic Acid SCHEMBL5330093 0.84 RAB9A (0.48) DRD2HTR1AHTR7ADRA1B
Cadaverine Tartrate SCHEMBL5326038 0.84 RAB9A (0.48) DRD2HTR1AHTR7ADRA1B
SCHEMBL4530287 0.82 RECQL (0.49) DRD2HTR1AHTR7DRD3ALDH1A1
SCHEMBL4519149 0.80 HTR1A (0.45) DRD2HTR1AHTR7ADRA1BRECQL
Hydrochloric Acid SCHEMBL4527359 0.79 HTR1A (0.46) DRD2HTR1AHTR7RECQL
Hydrochloric Acid SCHEMBL5821381 0.78 ALDH1A1 (0.43) DRD2HTR1AHTR7ALDH1A1MEN1

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 3 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 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 DRD2 182/4885HTR1A 16/4885HTR7 125/4885

“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.