SCHEMBL2550817

SCHEMBL2550817

O=C(C1COc2ccccc2O1)N1CCN(c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.86

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.86
MAPK1 P28482 2/20 0.69
ALDH1A1 P00352 4/20 0.69
KMT2A Q03164 3/20 0.69
POLB P06746 2/20 0.69
TDP1 Q9NUW8 2/20 0.69
SMN1; SMN2 Q16637 3/20 0.63
HPGD P15428 2/20 0.63
AIMP2 Q13155 3/20 0.59
NPC1 O15118 1/20 0.58
MAPT P10636 2/20 0.53
THRB P10828 1/20 0.53
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX12 P18054 1/20 0.52
CYP2C19 P33261 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL12240051 0.82 ALDH1A1 (0.84) GAAMAPK1ALDH1A1KMT2APOLB
SCHEMBL2550825 0.81 GAA (0.74) GAAMAPK1ALDH1A1KMT2APOLB
SCHEMBL4136572 0.79 ALDH1A1 (0.78) GAAMAPK1ALDH1A1KMT2APOLB
SCHEMBL2550858 0.78 MAPK1 (0.78) GAAMAPK1ALDH1A1KMT2APOLB
SCHEMBL13202892 0.77 ALDH1A1 (0.76) GAAMAPK1ALDH1A1KMT2APOLB
SCHEMBL10167539 0.77 ALDH1A1 (0.97) GAAMAPK1ALDH1A1KMT2APOLB
SCHEMBL2549123 0.76 GAA (0.67) GAAMAPK1ALDH1A1KMT2APOLB
SCHEMBL2549118 0.76 GAA (0.67) GAAMAPK1ALDH1A1KMT2APOLB
SCHEMBL14683495 0.76 POLB (0.78) GAAMAPK1ALDH1A1KMT2APOLB
SCHEMBL2548219 0.76 MAPK1 (0.71) GAAMAPK1ALDH1A1KMT2APOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110262352-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2011-10-27 US disclosed
WO-2010058060-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2010-05-27 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-20110262352-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ADRA2C, ADRA2A, HTR2C GAA 3623/4885MAPK1 3863/4885ALDH1A1 819/4885

“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.