SCHEMBL4521606

SCHEMBL4521606

O=C(CN1CCN(c2ccccc2OC2CCCC2)CC1)CN1C(=O)C2CC(O)C(O)CC2C1=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.50
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
HTR1A P08908 7/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 2/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC18A3 Q16572 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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 SCHEMBL4526875 0.99 RAB9A (0.49) RAB9AADRA1DADRA1AADRA1BHTR1A
Phosphoric Acid SCHEMBL5328350 0.96 RAB9A (0.47) RAB9AADRA1DADRA1AADRA1BHTR1A
Succinic Acid SCHEMBL5326107 0.95 RAB9A (0.46) RAB9AADRA1DADRA1AADRA1BHTR1A
Fumaric Acid SCHEMBL5324097 0.95 RAB9A (0.46) RAB9AADRA1DADRA1AADRA1BHTR1A
Maleic Acid SCHEMBL5324091 0.95 RAB9A (0.46) RAB9AADRA1DADRA1AADRA1BHTR1A
Cadaverine Tartrate SCHEMBL5326825 0.95 RAB9A (0.46) RAB9AADRA1DADRA1AADRA1BHTR1A
SCHEMBL5328358 0.90 RAB9A (0.43) RAB9AADRA1DADRA1AADRA1BHTR1A
SCHEMBL4520493 0.89 RAB9A (0.51) RAB9AADRA1DADRA1AADRA1BHTR1A
SCHEMBL4535333 0.89 MEN1 (0.40) RAB9AHTR1ADRD2HTR2AHTR7
Hydrochloric Acid SCHEMBL4526384 0.88 MEN1 (0.39) RAB9AHTR1ADRD2HTR2AHTR7

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 RAB9A 2584/4885ADRA1D 1/4885ADRA1A 3/4885

“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.