SCHEMBL2833733

SCHEMBL2833733

COc1ccc(-c2ccc(C(O)C(N)c3ccc(Cl)cc3)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2A6 P11509 2/20 0.40
RIOK2 Q9BVS4 1/20 0.39
ERN1 O75460 2/20 0.38
KCNH2 Q12809 1/20 0.38
LTA4H P09960 1/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
KDR P35968 1/20 0.37
EPHB4 P54760 1/20 0.37
TEK Q02763 1/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CD O00329 1/20 0.37
PIP5K1C O60331 1/20 0.37
PIK3CB P42338 1/20 0.37

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
SCHEMBL7816911 1.00 MKNK1 (0.48) MKNK1MKNK2HSD17B1HSD17B2MEN1
SCHEMBL5052703 0.81 MKNK1 (0.57) MKNK1MKNK2HSD17B1HSD17B2MEN1
SCHEMBL13575396 0.81 MKNK1 (0.57) MKNK1MKNK2HSD17B1HSD17B2MEN1
SCHEMBL2839105 0.81 LTA4H (0.55) MKNK1MKNK2KCNH2LTA4HPIK3CD
SCHEMBL7809508 0.81 LTA4H (0.55) MKNK1MKNK2KCNH2LTA4HPIK3CD
SCHEMBL14024037 0.77 MKNK1 (0.49) MKNK1MKNK2HSD17B1HSD17B2CYP2A6
SCHEMBL2834190 0.77 MKNK1 (0.50) MKNK1MKNK2MAP4K4ALPL
SCHEMBL7809451 0.77 MKNK1 (0.50) MKNK1MKNK2MAP4K4ALPL
SCHEMBL15952614 0.75 MAOA (0.43) HSD17B1HSD17B2MEN1KMT2AKDR
SCHEMBL12919970 0.75 MKNK1 (0.54) MKNK1MKNK2HSD17B1HSD17B2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP claimed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO claimed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 US claimed
US-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 US disclosed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 US disclosed
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 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 (2 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-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 MKNK1 3432/4885MKNK2 3630/4885HSD17B1 500/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 MKNK1 3432/4885MKNK2 3630/4885HSD17B1 500/4885

“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.