SCHEMBL1323770

SCHEMBL1323770

N#Cc1c[nH]c2ccc(CCCN3CCN(c4cccc5cccnc45)CC3)cc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.54
HRH3 Q9Y5N1 4/20 0.54
KCNH2 Q12809 4/20 0.54
ADRA1A P35348 3/20 0.54
ADRA1B P35368 3/20 0.54
HTR1A P08908 11/20 0.49
SLC6A4 P31645 2/20 0.48
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
DRD2 P14416 3/20 0.47
HTR2A P28223 3/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
HTR6 P50406 2/20 0.45
HTR7 P34969 1/20 0.44

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
SCHEMBL1322961 0.86 HTR1D (0.55) HTR1ASLC6A4HTR1DHTR1BDRD2
SCHEMBL1406133 0.84 HTR1A (0.50) HTR1AHTR1DHTR1BDRD2
SCHEMBL1323836 0.84 HTR1A (0.47) KCNH2HTR1ASLC6A4DRD2HTR2A
SCHEMBL1322782 0.83 DRD2 (0.50) KCNH2ADRA1AHTR1ADRD2HTR2A
SCHEMBL1322866 0.80 DRD2 (0.63) HTR1ADRD2
SCHEMBL1322834 0.77 HTR1A (0.44) HTR1AHTR1DHTR1B
SCHEMBL1322969 0.77 HTR1A (0.57) HTR1AHTR1DHTR1B
SCHEMBL1323788 0.75 HTR1A (0.41) HTR1AHTR1DHTR1B
SCHEMBL1322955 0.75 HTR1A (0.63) KCNH2HTR1ADRD2HTR2AHTR6
SCHEMBL13633559 0.75 ADRA2A (0.48) ADRA1AADRA1BHTR1ASLC6A4

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 22 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
US-20050153980-A1 Substituted indoles MERCK PATENT GMBH (DE) 2005-07-14 US 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
US-20090291963-A1 SUBSTITUTED INDOLES SCHADT OLIVER 2009-11-26 US disclosed
US-20090291963-A1 SUBSTITUTED INDOLES SCHADT OLIVER 2009-11-26 US disclosed
US-20090291963-A1 SUBSTITUTED INDOLES SCHADT OLIVER 2009-11-26 US disclosed
US-7572796-B2 Substituted indoles MERCK PATENT GMBH (DE) 2009-08-11 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-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 HRH1 305/4885HRH3 192/4885KCNH2 314/4885
US-20090291963-A1 SUBSTITUTED INDOLES TPH2, TPH1, HTR1A HRH1 279/4885HRH3 175/4885KCNH2 323/4885
US-20050153980-A1 Substituted indoles TPH2, TPH1, HTR1A HRH1 279/4885HRH3 175/4885KCNH2 323/4885

“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.