SCHEMBL4426786

SCHEMBL4426786

CCC(Oc1ccc(OCc2ccc(C#N)cc2)cc1)C(=O)NC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.56
MAOB P27338 3/20 0.48
SMPD1 P17405 1/20 0.46
ADAMTS4 O75173 1/20 0.46
MMP13 P45452 1/20 0.46
PPARA Q07869 3/20 0.44
PPARG P37231 2/20 0.44
AR P10275 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
KCNH2 Q12809 1/20 0.42
ADAM17 P78536 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
LMNA P02545 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
SCHEMBL4434157 1.00 RAB9A (0.56) RAB9AMAOBSMPD1ADAMTS4MMP13
SCHEMBL4425536 0.85 RAB9A (0.55) RAB9AMAOBSMPD1ADAMTS4MMP13
SCHEMBL4425534 0.85 RAB9A (0.55) RAB9AMAOBSMPD1ADAMTS4MMP13
SCHEMBL5606577 0.85 PPARG (0.60) RAB9AMAOBPPARAPPARGMMP9
SCHEMBL4422878 0.77 ALDH1A1 (0.46) LMNAL3MBTL1
SCHEMBL4428660 0.77 ALDH1A1 (0.46) LMNAL3MBTL1
SCHEMBL4422047 0.77 RAB9A (0.60) RAB9AMAOBSMPD1ADAMTS4MMP13
SCHEMBL4425852 0.76 MAOB (0.57) MAOB
SCHEMBL4425123 0.76 MAOB (0.57) MAOBPPARA
SCHEMBL4425854 0.76 MAOB (0.57) MAOB

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
EP-1761480-B1 MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-02-18 EP claimed
US-7253318-B2 Benzyloxy derivatives as MAOB inhibitors HOFFMAN-LA ROCHE INC. (US) 2007-08-07 US claimed
EP-1761480-A2 NEW MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP claimed
WO-2006000324-A2 NEW MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 WO claimed
US-20050288367-A1 Benzyloxy derivatives as MAOB inhibitors HOFFMAN-LA ROCHE INC. 2005-12-29 US claimed
EP-1761480-B1 MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2009-02-18 EP disclosed
US-7253318-B2 Benzyloxy derivatives as MAOB inhibitors HOFFMAN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1761480-A2 NEW MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-14 EP disclosed
WO-2006000324-A2 NEW MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-01-05 WO disclosed
US-20050288367-A1 Benzyloxy derivatives as MAOB inhibitors HOFFMAN-LA ROCHE INC. 2005-12-29 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-20050288367-A1 Benzyloxy derivatives as MAOB inhibitors MAOB, MAOA, COMT RAB9A 1656/4885MAOB 1/4885SMPD1 840/4885

“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.