SCHEMBL4393402

SCHEMBL4393402

CC(CO)NC(C)C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
KCNH2 Q12809 1/20 0.46
KMT2A Q03164 4/20 0.45
RAB9A P51151 4/20 0.45
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MDM2 Q00987 1/20 0.42
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.41
CES1 P23141 2/20 0.41
MAPK1 P28482 2/20 0.41

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
SCHEMBL4393537 0.81 CYP2B6 (0.63) HRH1KCNH2KMT2ARAB9AHPGD
SCHEMBL12019757 0.78 RAB9A (0.65) KMT2ARAB9AHPGDALDH1A1MEN1
SCHEMBL3380039 0.78 RAB9A (0.65) KMT2ARAB9AHPGDALDH1A1MEN1
SCHEMBL4394472 0.77 CA12 (0.41) ALDH1A1TDP1KDM4E
SCHEMBL4401492 0.77 NPC1 (0.48) RAB9AHPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL4394358 0.77 KDM4E (0.57) GAAL3MBTL1MAPTKDM4E
SCHEMBL5082435 0.76 ACP3 (0.53) HPGDALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL22828969 0.76 ACP3 (0.53) HPGDALDH1A1SMN1; SMN2TDP1L3MBTL1
SCHEMBL2958906 0.76 SLC6A3 (0.57) RAB9AHPGDALDH1A1SMN1; SMN2CES1
SCHEMBL2958909 0.76 SLC6A3 (0.57) RAB9AHPGDALDH1A1SMN1; SMN2CES1

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-20120219592-A1 Use of B-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain BIOCOPEA LIMITED (GB) 2012-08-30 US disclosed
US-8188150-B2 Use of beta-aminoalcohols in the treatment of inflammatory disorders and pain BIOCOPEA LIMITED (GB) 2012-05-29 US disclosed
US-20090306216-A1 Use of Beta-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain BIOCOPEA LIMITED (GB) 2009-12-10 US 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 (2 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-20120219592-A1 Use of B-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain OPRL1, HRH3, HRH2 PGR 2123/4885ADRA2A 142/4885ADRA2B 78/4885
US-20090306216-A1 Use of Beta-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain OPRL1, HRH3, NR1H2 PGR 3028/4885ADRA2A 29/4885ADRA2B 27/4885

“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.