SCHEMBL7433988

SCHEMBL7433988

NC(=O)C1COCCN1C[CH]Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.60
MAOA P21397 4/20 0.52
SPHK1 Q9NYA1 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
EGFR P00533 2/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
FAAH O00519 1/20 0.43
SPHK2 Q9NRA0 1/20 0.43
KMT2A Q03164 2/20 0.42
PARP10 Q53GL7 1/20 0.42
MEN1 O00255 1/20 0.42
EPHX2 P34913 1/20 0.41
GAA P10253 1/20 0.41
NAAA Q02083 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
SCHEMBL7405693 0.82 MAOB (0.54) MAOBMAOASPHK1NPC1RAB9A
SCHEMBL30714827 0.75 MAOB (1.00) MAOBMAOA
SCHEMBL28489341 0.75 MAOB (0.79) MAOBMAOASPHK1
SCHEMBL28486215 0.75 MAOB (0.79) MAOBMAOASPHK1PARP10
SCHEMBL30714822 0.75 MAOB (0.79) MAOBMAOASPHK1PARP10
SCHEMBL30714824 0.75 MAOB (0.79) MAOBMAOASPHK1PARP10
SCHEMBL28489342 0.75 MAOB (0.79) MAOBMAOASPHK1
SCHEMBL30714830 0.75 MAOB (0.79) MAOBMAOASPHK1
SCHEMBL28488845 0.75 MAOB (1.00) MAOBMAOA
SCHEMBL28486216 0.75 MAOB (0.79) MAOBMAOASPHK1PARP10

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
US-6362174-B1 ANALGESICS, ANTIISCHEMIC AGENTS, ANTIEOILEPTIC AGENTS WARNER-LAMBERT COMPANY 2002-03-26 US claimed
US-6316440-B1 TREATMENT OF STROKE, HEAD TRAUMA, CEREBRAL ISCHEMIA, PAIN AND EPILEPSY WARNER-LAMBERT COMPANY 2001-11-13 US claimed
WO-2000006559-A1 REDUCED DIPEPTIDE ANALOGUES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-02-10 WO claimed
EP-1180030-A4 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2002-09-25 EP disclosed
US-6362174-B1 ANALGESICS, ANTIISCHEMIC AGENTS, ANTIEOILEPTIC AGENTS WARNER-LAMBERT COMPANY 2002-03-26 US disclosed
US-20020028801-A1 Reduced dipeptide analogues as calcium channel antagonitsts RAFFERTY MICHAEL FRANCIS (US) 2002-03-07 US disclosed
EP-1180030-A1 ANTIBACTERIAL COMPOUNDS SmithKline Beecham Corporation (US) 2002-02-20 EP disclosed
US-6316440-B1 TREATMENT OF STROKE, HEAD TRAUMA, CEREBRAL ISCHEMIA, PAIN AND EPILEPSY WARNER-LAMBERT COMPANY 2001-11-13 US disclosed
WO-2000072846-A1 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-07 WO disclosed
WO-2000006559-A1 REDUCED DIPEPTIDE ANALOGUES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-02-10 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-20020028801-A1 Reduced dipeptide analogues as calcium channel antagonitsts CACNA1E, RYR1, CACNA1B MAOB 4556/4885MAOA 4797/4885SPHK1 2654/4885

“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.