SCHEMBL2372474

SCHEMBL2372474

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 6/20 0.75
GABBR1 Q9UBS5 6/20 0.75
CYP2C9 P11712 3/20 0.75
LMNA P02545 2/20 0.75
CYP2D6 P10635 2/20 0.75
CYP2C19 P33261 2/20 0.75
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
CYP1A2 P05177 2/20 0.75
CYP3A4 P08684 1/20 0.75
ADORA3 P0DMS8 1/20 0.75
NFKB1 P19838 1/20 0.75
DRD3 P35462 1/20 0.75
BLM P54132 1/20 0.75
THRB P10828 1/20 0.75
TSHR P16473 1/20 0.75
FNTA P49354 4/20 0.52
FNTB P49356 4/20 0.52
HSD17B10 Q99714 1/20 0.47

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
Arbaclofen SCHEMBL351220 0.86 GABBR2 (1.00) GABBR2GABBR1CYP2C9LMNACYP2D6
Baclofen SCHEMBL19333 0.86 GABBR2 (1.00) GABBR2GABBR1CYP2C9LMNACYP2D6
Baclofen SCHEMBL19334 0.86 GABBR2 (1.00) GABBR2GABBR1CYP2C9LMNACYP2D6
Baclofen SCHEMBL5556250 0.86 GABBR2 (1.00) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL391659 0.85 GABBR2 (0.79) GABBR2GABBR1CYP2C9LMNACYP2D6
Arbaclofen SCHEMBL1417519 0.84 GABBR2 (0.96) GABBR2GABBR1CYP2C9LMNACYP2D6
Baclofen SCHEMBL656539 0.84 GABBR2 (0.96) GABBR2GABBR1CYP2C9LMNACYP2D6
Baclofen SCHEMBL4915007 0.84 GABBR2 (0.96) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL28014207 0.83 GABBR2 (0.76) GABBR2GABBR1CYP2C9LMNACYP2D6
SCHEMBL11333015 0.83 GABBR2 (0.65) 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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011113904-A1 MEDICAMENTS FOR THE PREVENTION AND TREATMENT OF A DISEASE ASSOCIATED WITH RETINAL GANGLION CELL DEGENERATION INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2011-09-22 WO disclosed
EP-0748320-B1 PRODRUGS OF MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-11-13 EP disclosed
US-20020002164-A1 Morpholine and thiomorpholine tachykinin receptor antagonists MERCK & CO., INC. 2002-01-03 US disclosed
US-6235735-B1 AFTERTREATMENT OF RADIATION THERAPY MERCK & CO., INC. 2001-05-22 US disclosed
EP-0734381-B1 MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2000-07-05 EP disclosed
US-6048859-A ANTIEMETIC AGENT MERCK & CO., INC. (US) 2000-04-11 US disclosed
CN-1049431-C Morpholine and thiomorpholine tachykinin receptor antagonists MERCK & CO INC (US) 2000-02-16 CN disclosed
EP-0858444-A4 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-12-01 EP disclosed
EP-0577394-B1 Morpholine and thiomorpholine tachykinin receptor antagonists MERCK & CO INC (US) 1999-11-10 EP disclosed
EP-0858444-A1 CYCLOPENTYL TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-08-19 EP disclosed
WO-1995023798-A1 PRODRUGS OF MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-09-08 WO disclosed
WO-1995022525-A1 N-ACYLPIPERIDINE TACHYKININ ANTAGONISTS MERCK & CO., INC. (US) 1995-08-24 WO disclosed
WO-1995016679-A1 MORPHOLINE AND THIOMORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-06-22 WO disclosed
US-5387595-A Antiinflammatory agents MERCK & CO., INC. (US) 1995-02-07 US disclosed
WO-1994013646-A1 N,N-DIACYLPIPERAZINE TACHYKININ ANTAGONISTS MERCK & CO., INC. (US) 1994-06-23 WO disclosed
CN-1087902-A Morpholine and thiomorpholine tachykinin receptor antagonists MERCK & CO INC (US) 1994-06-15 CN disclosed
US-5292726-A N,N-diacylpiperazines MERCK & CO., INC. (US) 1994-03-08 US disclosed
WO-1994004487-A1 ALICYCLIC COMPOUNDS AS TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-03-03 WO disclosed
WO-1994000440-A1 MORPHOLINE AND THIOMORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-01-06 WO disclosed
EP-0577394-A1 Morpholine and thiomorpholine tachykinin receptor antagonists MERCK & CO. INC. (US) 1994-01-05 EP 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-20020002164-A1 Morpholine and thiomorpholine tachykinin receptor antagonists TRPM7, TRPM2, TRPM5 GABBR2 2337/4885GABBR1 1822/4885CYP2C9 1855/4885

“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.