SCHEMBL3273377

SCHEMBL3273377

C=CCN(CCO)C[C@H](O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.46
CYP51A1 Q16850 2/20 0.40
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ATM Q13315 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1D P25100 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL11206337 0.85 KDM4E (0.45) AOC3KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL3275466 0.75 ALDH1A1 (0.47) AOC3CYP51A1KMT2ALMNASMN1; SMN2
SCHEMBL11120775 0.75 HTT (0.42) NPSR1HTR1AADRA2ADRD2ADRA2B
Hydrochloric Acid SCHEMBL3279850 0.74 ALDH1A1 (0.49) AOC3CYP51A1KMT2ALMNASMN1; SMN2
SCHEMBL11957707 0.73 AOC3 (0.62) AOC3CYP51A1KMT2ALMNASMN1; SMN2
SCHEMBL1355544 0.73 ALDH1A1 (0.40) AOC3KDM4EOPRM1OPRK1ALDH1A1
SCHEMBL3273864 0.73 AOC3 (0.62) AOC3CYP51A1KMT2ALMNASMN1; SMN2
SCHEMBL6398255 0.73 AOC3 (0.50) AOC3KMT2ALMNASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL3277848 0.72 AOC3 (0.60) AOC3CYP51A1KMT2ALMNASMN1; SMN2
SCHEMBL5141135 0.71 KDM4E (0.44) KMT2AKDM4EMEN1ALDH1A1CYP1A2

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-8273883-B2 Method for producing optically active 2-arylpiperazine derivative KANEKA CORPORATION (JP) 2012-09-25 US disclosed
US-20100087643-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-ARYLPIPERAZINE DERIVATIVE KANEKA CORPORATION (JP) 2010-04-08 US disclosed
EP-2119709-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-ARYLPIPERAZINE DERIVATIVE Kaneka Corporation (JP) 2009-11-18 EP 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-20100087643-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE 2-ARYLPIPERAZINE DERIVATIVE CYP2W1, AGPS, DHPS AOC3 297/4885CYP51A1 72/4885KMT2A 1092/4885

“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.