SCHEMBL5259681

SCHEMBL5259681

CN(C)C(c1ccccc1)c1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.58
NOD2 Q9HC29 1/20 0.48
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
F7 P08709 1/20 0.43
F3 P13726 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
IDO1 P14902 1/20 0.43
SLC6A4 P31645 1/20 0.43
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
GPR84 Q9NQS5 1/20 0.42
HTR2A P28223 1/20 0.42
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
XBP1 P17861 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
SCHEMBL5259028 0.88 SRC (0.51) SRCMAPTSMN1; SMN2TP53IDO1
SCHEMBL5259745 0.87 IDO1 (0.49) SRCMAPTSMN1; SMN2TP53IDO1
SCHEMBL5257270 0.84 IDO1 (0.50) SRCKMT2AMEN1IDO1SLC6A4
SCHEMBL5261131 0.83 SRC (0.56) SRCNOD2MAPTTP53IDO1
SCHEMBL5257221 0.83 SRC (0.47) SRCKMT2AMEN1IDO1SLC6A4
SCHEMBL5261587 0.82 SRC (0.75) SRCNOD2MAPTSMN1; SMN2KMT2A
SCHEMBL5260988 0.81 SRC (0.74) SRCNOD2KMT2ASLC6A4GAA
SCHEMBL5257241 0.80 SRC (0.44) SRCIDO1SLC6A4MGAMGAA
SCHEMBL5260125 0.76 HTR1D (0.58) SRCMAPTKMT2AMEN1SLC6A4
SCHEMBL27663362 0.76 KMT2A (0.50) SRCMAPTSMN1; SMN2TP53F7

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 12 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
US-7091220-B2 Substituted indole Mannich bases GRUENENTHAL GMBH (DE) 2006-08-15 US claimed
CN-1219763-C Substituted indole mannich bases GRUENENTHAL GMBH (DE) 2005-09-21 CN 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-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 3704/4885MAPT 2635/4885

“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.