SCHEMBL1323783

SCHEMBL1323783

N#Cc1c[nH]c2cccc(CCCN3CCC(Oc4ccc(F)cc4)CC3)c12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
HTR1A P08908 7/20 0.41
HTR7 P34969 3/20 0.40
HTR2A P28223 2/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
SLC6A2 P23975 1/20 0.40
HRH1 P35367 1/20 0.40
CCR3 P51677 1/20 0.40
MPO P05164 1/20 0.39
CHRM4 P08173 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL1322840 0.85 GRIN2B (0.47) HTR2ACCR3
SCHEMBL1322758 0.81 HTR1A (0.46) HTR1AHTR7HTR2ASLC6A4KCNH2
SCHEMBL1322801 0.80 CCR3 (0.47) HTR1AHTR7HTR2ASLC6A4KCNH2
SCHEMBL1322882 0.79 HTR1A (0.45) HRH3HTR1AHTR7HTR2ASLC6A4
SCHEMBL1322809 0.79 HRH3 (0.42) HRH3HTR1AHTR7HTR2ASLC6A4
SCHEMBL1322803 0.77 SLC6A2 (0.44) HTR1AHTR7HTR2ASLC6A4KCNH2
SCHEMBL1322749 0.74 SLC6A2 (0.39) HTR1AHTR2AKCNH2SLC6A2DRD2
SCHEMBL11739126 0.72 HTR2A (0.60) HTR1AHTR2ASLC6A4SLC6A2MPO
SCHEMBL8325652 0.72 HTR1A (0.50) HTR1AHTR2ASLC6A4MPODRD2
SCHEMBL12123976 0.71 HTR1A (0.37) HTR1AHTR2ASLC6A4KCNH2SLC6A2

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 25 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
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-20090291963-A1 SUBSTITUTED INDOLES SCHADT OLIVER 2009-11-26 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-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 HRH3 192/4885HTR1A 3/4885HTR7 15/4885
US-20090291963-A1 SUBSTITUTED INDOLES TPH2, TPH1, HTR1A HRH3 175/4885HTR1A 3/4885HTR7 16/4885
US-20050153980-A1 Substituted indoles TPH2, TPH1, HTR1A HRH3 175/4885HTR1A 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.