SCHEMBL1322882

SCHEMBL1322882

N#Cc1c[nH]c2ccc(CCCN3CCC(Oc4ccc(F)cc4)CC3)cc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.45
MPO P05164 2/20 0.43
GRIN2B Q13224 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
HTR1D P28221 3/20 0.41
HTR1B P28222 2/20 0.41
SLC6A4 P31645 3/20 0.40
HTR7 P34969 2/20 0.40
KCNH2 Q12809 1/20 0.40
DRD4 P21917 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL1322809 0.93 HRH3 (0.42) HTR1AMPOGRIN2BHRH3HTR1D
SCHEMBL1324283 0.87 GRIN2B (0.58) HTR1AMPOGRIN2BHTR1DHTR1B
SCHEMBL1322865 0.83 SLC6A4 (0.54) HTR1AHTR1DHTR1BSLC6A4HTR7
SCHEMBL1322810 0.81 GRIN2B (0.48) HTR1AMPOGRIN2BHTR1DHTR1B
SCHEMBL1322881 0.81 ADRA1D (0.62) HTR1AHTR1DSLC6A4HTR7KCNH2
SCHEMBL13633560 0.81 ADRA1D (0.42) HTR1AMPOGRIN2BSLC6A4KCNH2
SCHEMBL1322807 0.79 OPRK1 (0.41) HRH3HTR7KCNH2
SCHEMBL1323783 0.79 HRH3 (0.42) HTR1AMPOHRH3SLC6A4HTR7
SCHEMBL1322798 0.79 GRIN2B (0.56) GRIN2BHTR2A
SCHEMBL1322812 0.77 ADRA1D (0.59) SLC6A4

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
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
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 HTR1A 3/4885MPO 2334/4885GRIN2B 23/4885
US-20090291963-A1 SUBSTITUTED INDOLES TPH2, TPH1, HTR1A HTR1A 3/4885MPO 2050/4885GRIN2B 22/4885
US-20050153980-A1 Substituted indoles TPH2, TPH1, HTR1A HTR1A 3/4885MPO 2050/4885GRIN2B 22/4885

“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.