SCHEMBL5261587

SCHEMBL5261587

CN(C)C(c1ccccc1)c1c[nH]c2ccccc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.75
NOD2 Q9HC29 1/20 0.66
GPR84 Q9NQS5 3/20 0.56
FFAR1 O14842 2/20 0.53
CYP2D6 P10635 2/20 0.52
NR3C1 P04150 1/20 0.52
PGR P06401 1/20 0.52
NR3C2 P08235 1/20 0.52
AR P10275 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
KCNH2 Q12809 1/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
MAPT P10636 3/20 0.52
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
USP2 O75604 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL5261131 0.82 SRC (0.56) SRCNOD2GPR84SLC6A4MAPT
SCHEMBL5259681 0.82 SRC (0.58) SRCNOD2GPR84SLC6A4MEN1
SCHEMBL6108207 0.82 SRC (0.53) SRCNOD2GPR84SLC6A4MEN1
SCHEMBL5260988 0.80 SRC (0.74) SRCNOD2GPR84CYP2D6NR3C1
SCHEMBL5260462 0.79 NOD2 (0.57) SRCNOD2MEN1KMT2AMAPT
SCHEMBL5261482 0.78 SRC (0.49) SRCNOD2GPR84FFAR1CYP2D6
SCHEMBL18364645 0.77 GPR84 (0.62) SRCNOD2GPR84FFAR1CYP2D6
SCHEMBL11486497 0.77 GPR84 (0.62) SRCNOD2GPR84FFAR1CYP2D6
SCHEMBL30258034 0.77 GPR84 (0.62) SRCNOD2GPR84FFAR1CYP2D6
SCHEMBL5257555 0.77 HTR2A (0.50) SRCNOD2CYP2D6SLC6A2SLC6A4

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 11 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
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 1551/4885NOD2 3704/4885GPR84 1801/4885

“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.