SCHEMBL1322865

SCHEMBL1322865

N#Cc1c[nH]c2ccc(CCCN3CCC(c4c[nH]c5ccc(F)cc45)CC3)cc12

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.54
HTR1A P08908 7/20 0.54
HTR7 P34969 5/20 0.54
DRD2 P14416 5/20 0.54
HTR2A P28223 3/20 0.54
HTR6 P50406 3/20 0.54
ADRA1D P25100 2/20 0.53
OPRM1 P35372 1/20 0.53
OPRK1 P41145 1/20 0.53
OPRL1 P41146 1/20 0.53
KCNH2 Q12809 1/20 0.52
HTR1D P28221 3/20 0.50
HTR1B P28222 2/20 0.49
CHRM2 P08172 1/20 0.49

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
SCHEMBL1322881 0.94 ADRA1D (0.62) SLC6A4HTR1AHTR7DRD2HTR2A
SCHEMBL1323815 0.90 KCNH2 (0.49) SLC6A4HTR1AHTR6KCNH2
SCHEMBL1322812 0.89 ADRA1D (0.59) SLC6A4ADRA1D
SCHEMBL1324121 0.85 SLC6A4 (0.45) SLC6A4HTR1AHTR7HTR6ADRA1D
SCHEMBL13955200 0.85 SLC6A4 (0.57) SLC6A4HTR1AHTR7DRD2HTR2A
SCHEMBL1324162 0.85 HTR7 (0.51) HTR7DRD2HTR1DHTR1BCHRM2
SCHEMBL1324283 0.85 GRIN2B (0.58) HTR1AHTR2AHTR1DHTR1B
SCHEMBL1322810 0.83 GRIN2B (0.48) SLC6A4HTR1AHTR7DRD2HTR2A
SCHEMBL1322882 0.83 HTR1A (0.45) SLC6A4HTR1AHTR7HTR2AKCNH2
SCHEMBL1406345 0.83 HTR1A (0.45) SLC6A4HTR1AHTR7DRD2HTR2A

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058277-B2 Substituted indoles MERCK PATENT GMBH (DE) 2011-11-15 US claimed
EP-1497279-B1 SUBSTITUTED INDOLES AND THEIR USE AS 5HT-REUPTAKE INHIBITORS AND AS 5HT LIGANDS MERCK PATENT GMBH (DE) 2011-03-09 EP claimed
US-20090291963-A1 SUBSTITUTED INDOLES SCHADT OLIVER 2009-11-26 US claimed
US-7572796-B2 Substituted indoles MERCK PATENT GMBH (DE) 2009-08-11 US claimed
US-20090054459-A1 Substituted indoles SCHADT OLIVER 2009-02-26 US claimed
JP-2005523310-A 2005-08-04 JP claimed
US-20050153980-A1 Substituted indoles MERCK PATENT GMBH (DE) 2005-07-14 US claimed
EP-1497279-A2 SUBSTITUTED INDOLES AND THEIR USE AS 5HT-REUPTAKE INHIBITORS AND AS 5HT LIGANDS MERCK PATENT GmbH (DE) 2005-01-19 EP claimed
WO-2003087086-A2 SUBSTITUTED INDOLES MERCK PATENT GMBH (DE) 2003-10-23 WO claimed
US-8058277-B2 Substituted indoles MERCK PATENT GMBH (DE) 2011-11-15 US disclosed
US-8058277-B2 Substituted indoles MERCK PATENT GMBH (DE) 2011-11-15 US disclosed
US-8058277-B2 Substituted indoles MERCK PATENT GMBH (DE) 2011-11-15 US disclosed
EP-1497279-B1 SUBSTITUTED INDOLES AND THEIR USE AS 5HT-REUPTAKE INHIBITORS AND AS 5HT LIGANDS MERCK PATENT GMBH (DE) 2011-03-09 EP disclosed
EP-1497279-B1 SUBSTITUTED INDOLES AND THEIR USE AS 5HT-REUPTAKE INHIBITORS AND AS 5HT LIGANDS MERCK PATENT GMBH (DE) 2011-03-09 EP disclosed
US-20090054459-A1 Substituted indoles SCHADT OLIVER 2009-02-26 US disclosed
US-20090054459-A1 Substituted indoles SCHADT OLIVER 2009-02-26 US disclosed
US-20090054459-A1 Substituted indoles SCHADT OLIVER 2009-02-26 US disclosed
US-20050153980-A1 Substituted indoles MERCK PATENT GMBH (DE) 2005-07-14 US disclosed
EP-1497279-A2 SUBSTITUTED INDOLES AND THEIR USE AS 5HT-REUPTAKE INHIBITORS AND AS 5HT LIGANDS MERCK PATENT GmbH (DE) 2005-01-19 EP disclosed
WO-2003087086-A2 SUBSTITUTED INDOLES MERCK PATENT GMBH (DE) 2003-10-23 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 (3 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-20090054459-A1 Substituted indoles TPH2, TPH1, HTR1A SLC6A4 20/4885HTR1A 3/4885HTR7 15/4885
US-20090291963-A1 SUBSTITUTED INDOLES TPH2, TPH1, HTR1A SLC6A4 20/4885HTR1A 3/4885HTR7 16/4885
US-20050153980-A1 Substituted indoles TPH2, TPH1, HTR1A SLC6A4 20/4885HTR1A 3/4885HTR7 16/4885

“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.