SCHEMBL6074933

SCHEMBL6074933

O=C(O)CC(CC(=O)O)c1c(Cl)cccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.50
GABBR2 O75899 5/20 0.46
GABBR1 Q9UBS5 5/20 0.46
LMNA P02545 2/20 0.46
CYP2C9 P11712 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
NFKB1 P19838 1/20 0.46
DRD3 P35462 1/20 0.46
BLM P54132 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
PTGFR P43088 3/20 0.40
ALDH1A1 P00352 1/20 0.40
FEN1 P39748 1/20 0.40

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
SCHEMBL21631948 0.89 GABBR2 (0.58) AKR1B1GABBR2GABBR1LMNACYP2C9
Hydrochloric Acid SCHEMBL11661435 0.87 GABBR2 (0.56) AKR1B1GABBR2GABBR1LMNACYP2C9
SCHEMBL11074706 0.82 ITGB2 (0.43) AKR1B1LMNACYP2C9KMT2ACYP3A4
SCHEMBL14580271 0.80 AKR1B1 (0.47) AKR1B1GABBR2GABBR1LMNACYP2C9
SCHEMBL20280098 0.80 AKR1B1 (0.47) AKR1B1CYP2C9KMT2ATSHRCYP3A4
SCHEMBL21631976 0.78 GABBR2 (0.50) GABBR2GABBR1LMNACYP2C9KMT2A
SCHEMBL21632115 0.76 AKR1B1 (0.43) AKR1B1KMT2AMEN1CACNA2D1CACNA1B
SCHEMBL21956255 0.74 GABBR2 (0.42) AKR1B1GABBR2GABBR1LMNACYP2C9
SCHEMBL7519215 0.74 AKR1B1 (0.42) AKR1B1KMT2ATSHRCYP1A2ALDH1A1
SCHEMBL28542557 0.73 KDM4E (0.44) AKR1B1KMT2A

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-7115633-B2 Central nervous system disorders; Alzheimer's diseases; eating disorders GLAXOSMITHKLINE S.P.A. (IT) 2006-10-03 US disclosed
EP-1278729-B1 BENZOSUBERONYLPIPERIDINE COMPOUNDS AS ANALGESICS GLAXOSMITHKLINE SPA (IT) 2005-11-09 EP disclosed
US-20040029917-A1 Benzosuberonylpiperdine compounds as analgesics GLAXOSMITHKLINE S.P.A. (IT) 2004-02-12 US disclosed
EP-1278729-A1 BENZOSUBERONYLPIPERIDINE COMPOUNDS AS ANALGESICS GlaxoSmithKline S.p.A. (IT) 2003-01-29 EP disclosed
WO-2001083454-A1 BENZOSUBERONYLPIPERIDINE COMPOUNDS AS ANALGESICS GLAXOSMITHKLINE S.P.A. (IT) 2001-11-08 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-20040029917-A1 Benzosuberonylpiperdine compounds as analgesics OPRK1, OPRL1, OPRM1 AKR1B1 194/4885GABBR2 286/4885GABBR1 244/4885

“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.