SCHEMBL1552767

SCHEMBL1552767

COc1ccc(-c2nc(COc3ccc(C[C@@H]4CN(C(=O)OC(C)(C)C)CCO4)cc3Cl)no2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 1/20 0.44
EPHA2 P29317 6/20 0.43
EPHB4 P54760 3/20 0.43
ERBB2 P04626 1/20 0.43
NPC1 O15118 7/20 0.42
RAB9A P51151 7/20 0.42
SMPD1 P17405 3/20 0.42
KDR P35968 2/20 0.41
S1PR1 P21453 1/20 0.41
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL1552769 1.00 TDP1 (0.44) TDP1L3MBTL1MAPTEPHA2EPHB4
SCHEMBL1553384 0.92 SMPD1 (0.42) TDP1L3MBTL1MAPTEPHA2EPHB4
SCHEMBL1553330 0.92 SMPD1 (0.42) TDP1L3MBTL1MAPTEPHA2EPHB4
SCHEMBL1552574 0.91 MAPT (0.44) L3MBTL1MAPTEPHA2EPHB4ERBB2
SCHEMBL1552575 0.91 MAPT (0.44) L3MBTL1MAPTEPHA2EPHB4ERBB2
SCHEMBL31076359 0.81 EPHA2 (0.51) EPHA2EPHB4ERBB2
SCHEMBL1553210 0.79 PPARG (0.43) MAPTEPHA2EPHB4ERBB2
SCHEMBL1553213 0.79 PPARG (0.43) MAPTEPHA2EPHB4ERBB2
SCHEMBL1552562 0.79 GPR119 (0.47) EPHA2EPHB4ERBB2
SCHEMBL1552564 0.79 GPR119 (0.47) EPHA2EPHB4ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844026-B1 MORPHOLINES AS 5HT2C AGONISTS HOFFMANN LA ROCHE (CH) 2011-04-27 EP disclosed
US-7323466-B2 Morpholine derivatives as 5HT2C receptor agonists for the treatment of obesity HOFFMAN-LA ROCHE INC. (US) 2008-01-29 US disclosed
EP-1844026-A2 MORPHOLINES AS 5HT2C AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
US-20060178510-A1 New morpholine derivatives as 5HT2C receptor agonists for the treatment of obesity HOFFMANN-LA ROCHE INC. 2006-08-10 US disclosed
WO-2006077025-A2 MORPHOLINES AS 5HT2C AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-27 WO disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 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-20060178510-A1 New morpholine derivatives as 5HT2C receptor agonists for the treatment of obesity HTR2C, HTR1A, HTR1B TDP1 3677/4885L3MBTL1 4429/4885MAPT 3287/4885

“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.