SCHEMBL4535333

SCHEMBL4535333

O=C(CN1CCN(c2cc(F)ccc2OC2CCCC2)CC1)CN1C(=O)C2CC(O)C(O)CC2C1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 3/20 0.36
MAPT P10636 1/20 0.36
HTR1A P08908 3/20 0.36
HTR7 P34969 2/20 0.36
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
CLK1 P49759 1/20 0.34
PPOX P50336 1/20 0.33

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 SCHEMBL4526384 0.99 MEN1 (0.39) MEN1KMT2ARAB9AALDH1A1MAPT
Phosphoric Acid SCHEMBL5329669 0.97 MEN1 (0.38) MEN1KMT2ARAB9AALDH1A1MAPT
Succinic Acid SCHEMBL5330872 0.96 MEN1 (0.37) MEN1KMT2ARAB9AALDH1A1MAPT
Cadaverine Tartrate SCHEMBL5328277 0.95 MEN1 (0.36) MEN1KMT2ARAB9AALDH1A1MAPT
Maleic Acid SCHEMBL5326128 0.95 MEN1 (0.36) MEN1KMT2ARAB9AALDH1A1MAPT
Fumaric Acid SCHEMBL5326133 0.95 MEN1 (0.36) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL5329692 0.90 MEN1 (0.35) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL4521906 0.90 MEN1 (0.40) MEN1KMT2ARAB9AALDH1A1MAPT
Hydrochloric Acid SCHEMBL4533811 0.89 MEN1 (0.40) MEN1KMT2ARAB9AALDH1A1MAPT
SCHEMBL4521606 0.89 RAB9A (0.50) MEN1KMT2ARAB9AALDH1A1HTR1A

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 MEN1 3296/4885KMT2A 1424/4885RAB9A 2584/4885

“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.