SCHEMBL1323754

SCHEMBL1323754

N#Cc1c[nH]c2cc(CCCN3CCC(Cc4ccc(F)cc4F)CC3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.46
HTR2A P28223 4/20 0.44
HTR2C P28335 4/20 0.44
KCNH2 Q12809 3/20 0.44
HTR1A P08908 3/20 0.43
ADRA1D P25100 2/20 0.43
DRD2 P14416 2/20 0.42
MPO P05164 2/20 0.41
SLC6A4 P31645 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
SCHEMBL1322810 0.93 GRIN2B (0.48) GRIN2BHTR2AHTR2CKCNH2HTR1A
SCHEMBL1322798 0.91 GRIN2B (0.56) GRIN2BHTR2A
SCHEMBL13633560 0.85 ADRA1D (0.42) GRIN2BHTR2AHTR2CKCNH2HTR1A
SCHEMBL1324283 0.83 GRIN2B (0.58) GRIN2BHTR2AHTR1AMPO
SCHEMBL1322758 0.83 HTR1A (0.46) HTR2AHTR2CKCNH2HTR1ADRD2
SCHEMBL1322809 0.81 HRH3 (0.42) GRIN2BHTR2AHTR2CHTR1AADRA1D
SCHEMBL1322881 0.78 ADRA1D (0.62) HTR2AKCNH2HTR1AADRA1DDRD2
SCHEMBL1322865 0.76 SLC6A4 (0.54) HTR2AKCNH2HTR1AADRA1DDRD2
SCHEMBL1322882 0.74 HTR1A (0.45) GRIN2BHTR2AHTR2CKCNH2HTR1A
SCHEMBL1322840 0.74 GRIN2B (0.47) GRIN2BHTR2A

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 GRIN2B 23/4885HTR2A 4/4885HTR2C 7/4885
US-20090291963-A1 SUBSTITUTED INDOLES TPH2, TPH1, HTR1A GRIN2B 22/4885HTR2A 4/4885HTR2C 7/4885
US-20050153980-A1 Substituted indoles TPH2, TPH1, HTR1A GRIN2B 22/4885HTR2A 4/4885HTR2C 7/4885

“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.