SCHEMBL4401492

SCHEMBL4401492

CC(CO)NC(C)C(=O)c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 2/20 0.47
RECQL P46063 1/20 0.46
GPR139 Q6DWJ6 2/20 0.45
HPGD P15428 3/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 3/20 0.42
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 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
SCHEMBL4655015 0.83 CYP2B6 (0.55) NPC1RAB9APOLBRECQLGPR139
SCHEMBL4395908 0.77 ALOX5 (0.46) NPC1RAB9APOLBHPGDSMN1; SMN2
SCHEMBL4393402 0.77 PGR (0.46) NPC1RAB9AGPR139HPGDCES2
SCHEMBL4399935 0.76 CYP2B6 (0.59) NPC1RAB9APOLBRECQLGPR139
SCHEMBL4399515 0.75 ERCC5 (0.49) NPC1RAB9APOLBRECQLGPR139
SCHEMBL6059596 0.74 SLC6A2 (0.55) NPC1RAB9APOLBRECQLGPR139
SCHEMBL2632778 0.74 CES2 (0.58) NPC1RAB9APOLBRECQLGPR139
Hydrochloric Acid SCHEMBL30450072 0.73 SLC6A2 (0.56) NPC1RAB9APOLBRECQLGPR139
SCHEMBL4393537 0.73 CYP2B6 (0.63) NPC1RAB9AGPR139HPGDCYP2C19
SCHEMBL13754507 0.72 TAS1R3 (0.66) GPR139ERCC5FEN1

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 NPC1 2030/4885RAB9A 3758/4885POLB 2540/4885
US-20090306216-A1 Use of Beta-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain OPRL1, HRH3, NR1H2 NPC1 1313/4885RAB9A 3945/4885POLB 2093/4885

“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.