SCHEMBL7822991

SCHEMBL7822991

NC(=O)CC(CC(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 4/20 0.72
GABBR1 Q9UBS5 4/20 0.72
CYP2C9 P11712 3/20 0.72
LMNA P02545 2/20 0.72
CYP2D6 P10635 2/20 0.72
CYP2C19 P33261 2/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
CYP3A4 P08684 1/20 0.72
ADORA3 P0DMS8 1/20 0.72
NFKB1 P19838 1/20 0.72
DRD3 P35462 1/20 0.72
BLM P54132 1/20 0.72
CYP1A2 P05177 1/20 0.72
THRB P10828 1/20 0.72
TSHR P16473 1/20 0.72
FNTA P49354 4/20 0.54
FNTB P49356 4/20 0.54
HSD17B10 Q99714 1/20 0.49
ITGB3 P05106 2/20 0.48

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
SCHEMBL22172484 1.00 GABBR2 (0.72) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL523877 0.93 GABBR2 (0.59) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL391659 0.91 GABBR2 (0.79) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL28014207 0.89 GABBR2 (0.76) GABBR2GABBR1CYP2C9LMNACYP2D6
Baclofen SCHEMBL20815463 0.84 GABBR2 (0.93) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL7031963 0.84 GABBR2 (0.74) GABBR2GABBR1CYP2C9LMNACYP2D6
Baclofen SCHEMBL5556250 0.84 GABBR2 (1.00) GABBR2GABBR1CYP2C9LMNACYP2D6
Baclofen SCHEMBL19334 0.84 GABBR2 (1.00) GABBR2GABBR1CYP2C9LMNACYP2D6
Arbaclofen SCHEMBL351220 0.84 GABBR2 (1.00) GABBR2GABBR1CYP2C9LMNACYP2D6
Baclofen SCHEMBL19333 0.84 GABBR2 (1.00) GABBR2GABBR1CYP2C9LMNACYP2D6

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020141141-A1 COCRYSTALS OF (R)-BACLOFEN ZAKLADY FARMACEUTYCZNE POLPHARMA S.A. (PL) 2020-07-09 WO disclosed
WO-2020141141-A1 COCRYSTALS OF (R)-BACLOFEN ZAKLADY FARMACEUTYCZNE POLPHARMA S.A. (PL) 2020-07-09 WO disclosed
EP-3674287-A1 COCRYSTALS OF (R)-BACLOFEN Zaklady Farmaceutyczne "Polpharma" S.A. (PL) 2020-07-01 EP disclosed
EP-3674287-A1 COCRYSTALS OF (R)-BACLOFEN Zaklady Farmaceutyczne "Polpharma" S.A. (PL) 2020-07-01 EP disclosed
CN-111254134-A Nitrile hydrolase mutant and application thereof in (S) -mononitrile monoacid synthesis 中国科学院天津工业生物技术研究所 2020-06-09 CN disclosed
US-8518916-B2 Heterocyclic derivatives as M-GLU5 antagonists RECORDATI IRELAND LIMITED (IE) 2013-08-27 US disclosed
US-8518916-B2 Heterocyclic derivatives as M-GLU5 antagonists RECORDATI IRELAND LIMITED (IE) 2013-08-27 US disclosed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 US disclosed
US-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-12 US disclosed
WO-2009015897-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2009-02-05 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 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 (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-20090042841-A1 NOVEL HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS GRM5, GRIK5, GRM3 GABBR2 159/4885GABBR1 176/4885CYP2C9 1779/4885

“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.