SCHEMBL6569671

SCHEMBL6569671

O=C1N[C@@H](Cc2ccccc2)[C@H](C(=O)O)O1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.44
CTRB1 P17538 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
FASN P49327 1/20 0.36
CTSD P07339 1/20 0.35
EP300 Q09472 1/20 0.35
GRM2 Q14416 1/20 0.35

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
SCHEMBL5652297 1.00 OPRL1 (0.44) OPRL1CTRB1TSHRHTTFASN
SCHEMBL10420330 1.00 OPRL1 (0.44) OPRL1CTRB1TSHRHTTFASN
SCHEMBL7838610 1.00 OPRL1 (0.44) OPRL1CTRB1TSHRHTTFASN
SCHEMBL6875994 0.86 OPRL1 (0.36) OPRL1
SCHEMBL740389 0.86 OPRL1 (0.36) OPRL1
SCHEMBL740390 0.86 OPRL1 (0.36) OPRL1
SCHEMBL740391 0.86 OPRL1 (0.36) OPRL1
SCHEMBL13172946 0.86 OPRL1 (0.36) OPRL1
SCHEMBL13534719 0.85 OPRL1 (0.42) OPRL1CTRB1FASN
SCHEMBL10510512 0.84 CYP2D6 (0.47) OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9169744-A None JP disclosed
US-6806384-B2 VIA TREATING N-CARBAMATE-PROTECTED BETA-AMINOEPOXIDE WITH ACID FORMING 5-HYDROXYMETHYL-2-OXAZOLIDINONE, THEN OXIDIZING IN 2,2,6,6-TETRAMETHYL-1-PIPERIDINYLOXY AND HYPOCHLORITE FORMING 4-BENZYL-2-OXO-5-OXAZOLIDINECARBOXYLIC ACID; CRYSTALLIZATION AJINOMOTO CO., INC. (JP) 2004-10-19 US disclosed
EP-1161416-B1 ALPHA-AMINOACETIC ACID DERIVATIVES USEFUL AS ALPHA 4 BETA 7 - RECEPTOR ANTAGONISTS ELAN PHARM INC (US) 2004-04-14 EP disclosed
US-6545160-B2 Alpha-aminoacetic acid derivatives bind alpha 4 beta 7 integrin, useful for treatment of inflammatory diseases in mammalian patient, such as asthma, Alzheimer's disease, atherosclerosis, AIDS dementia, diabetes, rheumatoid arthritis ELAN PHARMACEUTICALS, INC. 2003-04-08 US disclosed
US-20020151722-A1 Production method of beta-amino-alpha-hydroxycarboxylic acid AJINOMOTO CO. INC (JP) 2002-10-17 US disclosed
US-6410781-B1 ANTIINFLAMMATORY AGENTS; ANTIHISTAMINES; ALZHEIMER'S DISEASE; ELAN PHARMACEUTICALS, INC. 2002-06-25 US disclosed
EP-1161416-A1 ALPHA-AMINOACETIC ACID DERIVATIVES USEFUL AS ALPHA 4 BETA 7 - RECEPTOR ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2001-12-12 EP disclosed
WO-2000051974-A1 ALPHA-AMINOACETIC ACID DERIVATIVES USEFUL AS ALPHA 4 BETA 7 - RECEPTOR ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2000-09-08 WO disclosed
US-5670653-A Process for the manufacture of (4,5)-trans-oxazolidines HOFFMANN-LA ROCHE INC. (US) 1997-09-23 US disclosed
JP-H09169744-A NEW PRODUCTION OF (4,5)-TRANS-OXAZOLIDINE F HOFFMANN LA ROCHE AG 1997-06-30 JP 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-20020151722-A1 Production method of beta-amino-alpha-hydroxycarboxylic acid HAO2, HAAO, DAO OPRL1 2671/4885CTRB1 2273/4885TSHR 4414/4885

“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.