SCHEMBL5261087

SCHEMBL5261087

COc1ccc(C(c2cn(C)c3ccccc23)N(C)C)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.50
PRKCA P17252 2/20 0.43
GSK3B P49841 2/20 0.43
HTT P42858 3/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IDO1 P14902 1/20 0.41
SMPD1 P17405 1/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 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
SCHEMBL5261442 0.80 SRC (0.64) SRCHTTGAALMNAIDO1
SCHEMBL31268134 0.79 LMNA (0.41) PRKCAGSK3BHTTGAALMNA
SCHEMBL5257567 0.77 SRC (0.49) SRCHTTGAALMNAIDO1
SCHEMBL5259179 0.77 SRC (0.57) SRCGSK3BHTTGAALMNA
SCHEMBL5261799 0.77 SRC (0.49) SRCGSK3BHTTGAALMNA
SCHEMBL5259370 0.75 SRC (0.56) SRCHTTGAALMNAIDO1
SCHEMBL5257571 0.72 SRC (0.54) SRCHTTGAALMNAIDO1
SCHEMBL5261692 0.71 GRIK2 (0.43) HTTLMNASMN1; SMN2SMPD1TP53
SCHEMBL5258012 0.70 SRC (0.50) SRCHTTGAALMNAIDO1
SCHEMBL5261017 0.69 SRC (0.57) SRCGSK3BHTTGAALMNA

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-1261585-B1 SUBSTITUTED INDOLE MANNICH BASES GRUENENTHAL GMBH (DE) 2007-09-26 EP claimed
CN-1413192-A Substituted indole mannich bases GRUENENTHAL GMBH (DE) 2003-04-23 CN claimed
EP-1261585-B1 SUBSTITUTED INDOLE MANNICH BASES GRUENENTHAL GMBH (DE) 2007-09-26 EP disclosed
US-7091220-B2 Substituted indole Mannich bases GRUENENTHAL GMBH (DE) 2006-08-15 US disclosed
CN-1219763-C Substituted indole mannich bases GRUENENTHAL GMBH (DE) 2005-09-21 CN disclosed
CN-1413192-A Substituted indole mannich bases GRUENENTHAL GMBH (DE) 2003-04-23 CN disclosed
US-20030060497-A1 Subtituted indole mannich bases GRUENENTHAL GMBH (DE) 2003-03-27 US disclosed
EP-1261585-A1 SUBSTITUTED INDOLE MANNICH BASES Grünenthal GmbH (DE) 2002-12-04 EP disclosed
WO-2001047882-A2 SUBSTANCE LIBRARY WHICH CAN BE OBTAINED BY REACTING ALDEHYDES WITH SECONDARY AMINES, ACID CHLORIDES AND NAPHTHOL, PYRROLE AND/OR INDOLE COMPOUNDS Grünenthal GmbH (DE) 2001-07-05 WO disclosed
WO-2001047885-A1 SUBSTITUTED INDOLE MANNICH BASES Grünenthal GmbH (DE) 2001-07-05 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-20030060497-A1 Subtituted indole mannich bases TPH1, IDO1, TPH2 SRC 1551/4885PRKCA 2746/4885GSK3B 1779/4885

“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.