SCHEMBL5260125

SCHEMBL5260125

CN(C)C(c1ccccc1)c1c[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 0.58
TRPM8 Q7Z2W7 3/20 0.58
SLC6A4 P31645 1/20 0.56
SRC P12931 4/20 0.55
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
LTA4H P09960 3/20 0.52
PLA2G2A P14555 3/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
POLB P06746 1/20 0.47
IMPDH2 P12268 1/20 0.46
HTR1A P08908 1/20 0.45
HTR1B P28222 1/20 0.45

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
SCHEMBL5261147 0.88 TRPM8 (0.55) HTR1DTRPM8SLC6A4SRCKDM4E
SCHEMBL38657787 0.86 HTR1D (0.61) HTR1DTRPM8SLC6A4SRCKDM4E
SCHEMBL5260988 0.84 SRC (0.74) HTR1DSLC6A4SRCKMT2AHTR1A
SCHEMBL7085697 0.83 TRPM8 (0.60) HTR1DTRPM8SLC6A4KDM4EMAPT
SCHEMBL19234918 0.81 TRPM8 (0.57) HTR1DTRPM8SLC6A4KDM4EMAPT
SCHEMBL28273019 0.79 TRPM8 (0.58) HTR1DTRPM8SLC6A4KDM4EMAPT
SCHEMBL27493815 0.78 TRPM8 (0.52) HTR1DTRPM8SLC6A4KDM4EMAPT
SCHEMBL15955985 0.77 HTR1D (0.51) HTR1DTRPM8SLC6A4KDM4EMAPT
SCHEMBL5261143 0.77 LTA4H (0.51) HTR1DTRPM8SLC6A4KDM4EMAPT
SCHEMBL5259231 0.76 TRPM8 (0.50) HTR1DTRPM8SLC6A4KDM4EMAPT

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 HTR1D 47/4885TRPM8 915/4885SLC6A4 336/4885

“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.