SCHEMBL3521407

SCHEMBL3521407

CC(C)N(C(N)=O)c1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.50
GABRA1 P14867 2/20 0.48
GABRB2 P47870 2/20 0.48
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
MAPK1 P28482 2/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TAAR1 Q96RJ0 2/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 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
SCHEMBL3523911 0.91 TSHR (0.49) TRPM8MAPTL3MBTL1ALDH1A1NPC1
SCHEMBL27009973 0.86 TRPM8 (0.51) TRPM8GABRA1GABRB2L3MBTL1MAPK1
SCHEMBL11872443 0.85 SMN1; SMN2 (0.45) TRPM8GABRA1GABRB2MAPTL3MBTL1
SCHEMBL8430729 0.81 TRPM8 (0.47) TRPM8GABRA1GABRB2MAPTL3MBTL1
SCHEMBL3523972 0.80 NPC1 (0.47) MAPTL3MBTL1MAPK1ALDH1A1NPC1
SCHEMBL11812517 0.79 EGFR (0.39) ALDH1A1
SCHEMBL11820848 0.79 HDAC3 (0.45) TRPM8SLC6A2SLC6A4
SCHEMBL15557202 0.78 ALDH1A1 (0.47) MAPTL3MBTL1MAPK1ALDH1A1NPC1
SCHEMBL10653725 0.77 TRPM8 (0.45) TRPM8GABRA1GABRB2L3MBTL1MAPK1
SCHEMBL3526024 0.76 KMT2A (0.56) TRPM8MAPTL3MBTL1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652006-B2 For therapy and prophylaxis of neuronal loss associated with stroke, global and focal ischemia, CNS trauma, hypoglycemia and surgery, for ameliorating neurodegenerative diseases EURO-CELTIQUE S.A. (LU) 2010-01-26 US disclosed
US-20040162299-A1 Substituted quinazolines and analogs and the use thereof EURO-CELTIQUE, S.A. 2004-08-19 US disclosed
US-6765006-B2 ANTAGONISTS OF AMINO-3-HYDROXY-5-METHYLISOXAZOLE-4-PROPIONIC ACID (AMPA) IONOTROPIC RECEPTORS; NEURODEGENERATIVE, ALZHEIMER'S, AND HUNTINGTON'S DISEASE; AMYOTROPHIC LATERAL SCLEROSIS; SCHIZOPHRENIA, EXCITATORY AMINO ACID DEFICIENCY EURO-CELTIQUE S.A. (LU) 2004-07-20 US disclosed
EP-1066039-A4 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF COCENSYS INC (US) 2003-02-26 EP disclosed
US-20030033089-A1 Substituted quinazolines and analogs and the use thereof EURO-CELTIQUE S.A. 2003-02-13 US disclosed
US-6465472-B1 SUCH AS 1-(2-DIETHYLAMINOETHYL)-6,7-METHYLENEDIOXY-4-(3,4-METHYLENE -DIOXYPHENYL)QUINAZOLIN-2(1H)-ONE; AMPA IONOTROPIC RECEPTOR ANTAGONISTS; ANTICONVULSANTS, COGNITIVE ENHANCERS, PREVENTION OF NEURODEGENERATION EURO-CELTIQUE S.A. (LU) 2002-10-15 US disclosed
EP-1066039-A1 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF Cocensys, Inc. (US) 2001-01-10 EP disclosed
WO-1999044612-A1 SUBSTITUTED QUINAZOLINES AND ANALOGS AND THE USE THEREOF COCENSYS, INC. (US) 1999-09-10 WO disclosed
US-3997564-A ANTIINFLAMMATORY SANDOZ, INC. (US) 1976-12-14 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 (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-20040162299-A1 Substituted quinazolines and analogs and the use thereof CHRNA7, CHRNA2, CHRNA10 TRPM8 1270/4885GABRA1 61/4885GABRB2 66/4885

“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.