SCHEMBL1322809

SCHEMBL1322809

N#Cc1c[nH]c2cc(CCCN3CCC(Oc4ccc(F)cc4)CC3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
ADRA1D P25100 2/20 0.42
GRIN2B Q13224 1/20 0.41
HTR1A P08908 3/20 0.41
IMPDH2 P12268 1/20 0.41
SLC6A4 P31645 2/20 0.40
DRD4 P21917 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR1D P28221 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
HAT1 O14929 2/20 0.39
EP300 Q09472 2/20 0.39
DRD2 P14416 1/20 0.39
CHRM4 P08173 1/20 0.39
ADRB2 P07550 1/20 0.39

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
SCHEMBL1322882 0.93 HTR1A (0.45) HRH3GRIN2BHTR1ASLC6A4DRD4
SCHEMBL13633560 0.88 ADRA1D (0.42) ADRA1DGRIN2BHTR1ASLC6A4HTR2A
SCHEMBL1322807 0.87 OPRK1 (0.41) HRH3ADRA1DIMPDH2HTR7HAT1
SCHEMBL1322798 0.87 GRIN2B (0.56) GRIN2BHTR2A
SCHEMBL1323754 0.81 GRIN2B (0.46) ADRA1DGRIN2BHTR1ASLC6A4HTR2A
SCHEMBL1323783 0.79 HRH3 (0.42) HRH3HTR1ASLC6A4SLC6A2HTR2A
SCHEMBL1324283 0.79 GRIN2B (0.58) GRIN2BHTR1AHTR1DHTR2AMPO
SCHEMBL1322881 0.78 ADRA1D (0.62) ADRA1DHTR1ASLC6A4HTR1DHTR2A
SCHEMBL1322865 0.76 SLC6A4 (0.54) ADRA1DHTR1ASLC6A4HTR1DHTR2A
SCHEMBL1322810 0.74 GRIN2B (0.48) GRIN2BHTR1ASLC6A4HTR1DHTR2A

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 HRH3 192/4885ADRA1D 29/4885GRIN2B 23/4885
US-20090291963-A1 SUBSTITUTED INDOLES TPH2, TPH1, HTR1A HRH3 175/4885ADRA1D 29/4885GRIN2B 22/4885
US-20050153980-A1 Substituted indoles TPH2, TPH1, HTR1A HRH3 175/4885ADRA1D 29/4885GRIN2B 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.