SCHEMBL2546737

SCHEMBL2546737

ClCCN(CCCl)C[C@H]1COc2ccccc2O1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.54
CA2 P00918 1/20 0.52
ADRA2A P08913 2/20 0.50
ADRA1A P35348 2/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1B P35368 1/20 0.50
SCN1A P35498 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HTR1A P08908 3/20 0.47
HTT P42858 1/20 0.47
DRD1 P21728 1/20 0.47
TBXA2R P21731 1/20 0.47
SLC6A2 P23975 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL2546741 1.00 ALOX5 (0.54) ALOX5CA2ADRA2AADRA1AADRA2B
Hydrochloric Acid SCHEMBL2550091 0.98 ALOX5 (0.52) ALOX5CA2ADRA2AADRA1AADRA2B
SCHEMBL29516526 0.84 CA2 (0.56) ALOX5CA2LMNASMN1; SMN2ALDH1A1
SCHEMBL18359049 0.84 CA2 (0.56) ALOX5CA2LMNASMN1; SMN2ALDH1A1
SCHEMBL7374182 0.81 NR1D1 (0.48) ALOX5CA2LMNASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL7276981 0.80 NR1D1 (0.48) ALOX5CA2SMN1; SMN2ALDH1A1HTR1A
SCHEMBL21790169 0.79 CA2 (0.50) ALOX5CA2LMNASMN1; SMN2ALDH1A1
SCHEMBL8788249 0.78 HTT (0.61) CA2ADRA2AADRA1AADRA2BADRA2C
SCHEMBL2204596 0.78 ADRA2A (0.56) ALOX5CA2ADRA2AADRA1AADRA2B
SCHEMBL29580074 0.77 CA2 (0.66) ALOX5CA2ADRA2AADRA1AADRA1D

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-20110262352-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2011-10-27 US disclosed
US-20110262352-A1 ARYL PIPERAZINE AND THEIR USE AS ALPHA2C ANTAGONISTS ORION CORPORATION (FI) 2011-10-27 US disclosed
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 ALOX5 2986/4885CA2 872/4885ADRA2A 2/4885

“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.