SCHEMBL4398281

SCHEMBL4398281

CC(CO)NCC(=O)c1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.51
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
HDAC1 Q13547 5/20 0.48
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
DPP4 P27487 1/20 0.44
HDAC3 O15379 2/20 0.43

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
SCHEMBL13517868 0.86 SMN1; SMN2 (0.56) PTPN1KDM4ESMN1; SMN2HPGDALDH1A1
SCHEMBL4393587 0.81 KDM4E (0.46) KDM4EALDH1A1NPC1RAB9AADRB2
SCHEMBL16883484 0.78 PTPN1 (0.61) PTPN1KDM4ESMN1; SMN2HPGDALDH1A1
SCHEMBL4391321 0.78 HPGD (0.50) HPGDHDAC1HDAC8DPP4HDAC3
SCHEMBL4397425 0.77 DPP4 (0.41) SMN1; SMN2NPC1RAB9AMAPTDPP4
SCHEMBL4398285 0.77 ERCC5 (0.51) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL4403096 0.76 CA12 (0.41) KDM4EALDH1A1ADRB2MEN1KMT2A
SCHEMBL4398994 0.76 KDM4E (0.47) PTPN1KDM4EALDH1A1NPC1RAB9A
SCHEMBL7428500 0.75 SMN1; SMN2 (0.61) PTPN1KDM4ESMN1; SMN2HPGDALDH1A1
SCHEMBL1974978 0.75 PTPN1 (0.71) PTPN1KDM4ESMN1; SMN2HPGDALDH1A1

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 5 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
EP-1993525-A1 THE USE OF BETA-AMINOALCOHOLS IN THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN Sosei R&D Ltd. (GB) 2008-11-26 EP disclosed
WO-2007102008-A1 THE USE OF BETA-AMINOALCOHOLS IN THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN SOSEI R & D LTD. (GB) 2007-09-13 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 (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 PTPN1 4590/4885KDM4E 3730/4885SMN1; SMN2 2465/4885
US-20090306216-A1 Use of Beta-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain OPRL1, HRH3, NR1H2 PTPN1 4734/4885KDM4E 4330/4885SMN1; SMN2 2387/4885

“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.