SCHEMBL4530287

SCHEMBL4530287

NCC(O)CN1CCN(c2ccccc2OC2CCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.49
MAPT P10636 8/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 6/20 0.45
MAPK1 P28482 3/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTR1A P08908 3/20 0.45
DRD2 P14416 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
HIF1A Q16665 2/20 0.45
KCNH2 Q12809 2/20 0.45
HTR2A P28223 2/20 0.45
HRH1 P35367 2/20 0.45
NR1I2 O75469 1/20 0.45
NR3C1 P04150 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45

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
SCHEMBL4535208 0.82 DRD2 (0.50) RECQLALDH1A1KDM4EMEN1KMT2A
SCHEMBL4528199 0.82 HTR1A (0.50) HTR1ADRD2HTR7
Hydrochloric Acid SCHEMBL4526590 0.82 HTR1A (0.49) RECQLHTR1ADRD2HTR7
SCHEMBL8483863 0.81 RECQL (0.71) RECQLMAPTALDH1A1LMNAMAPK1
SCHEMBL8483868 0.81 RECQL (0.71) RECQLMAPTALDH1A1LMNAMAPK1
SCHEMBL8484076 0.81 RECQL (0.71) RECQLMAPTALDH1A1LMNAMAPK1
Phosphoric Acid SCHEMBL5337828 0.79 HTR1A (0.47) HTR1ADRD2HTR7
SCHEMBL4538062 0.79 ADRA1D (0.58) RECQLMAPTALDH1A1ADRA1DADRA1A
SCHEMBL4516528 0.78 HTR1A (0.48) RECQLHTR1ADRD2ADRA1BHTR7
Succinic Acid SCHEMBL5330093 0.78 RAB9A (0.48) HTR1ADRD2ADRA1BHTR7

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 RECQL 2641/4885MAPT 1842/4885ALDH1A1 50/4885

“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.