SCHEMBL1323787

SCHEMBL1323787

N#Cc1c[nH]c2ccc(CCCN3CCN(c4ccc5oc(=O)ccc5c4)CC3)cc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.53
SLC6A2 P23975 6/20 0.53
SLC6A3 Q01959 6/20 0.53
SLC6A4 P31645 5/20 0.53
DRD2 P14416 3/20 0.53
ADRA2A P08913 2/20 0.53
ADRA2C P18825 2/20 0.53
ADRA1D P25100 2/20 0.53
HTR7 P34969 2/20 0.53
ADRA1A P35348 2/20 0.53
ADRA1B P35368 2/20 0.53
ADRA2B P18089 1/20 0.53
KCNH2 Q12809 1/20 0.53
DRD4 P21917 2/20 0.52
ADRB2 P07550 1/20 0.52
FPR3 P25089 1/20 0.52
HTR1D P28221 1/20 0.52
HTR1B P28222 1/20 0.52
GPR183 P32249 1/20 0.52
HRH1 P35367 1/20 0.52

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
SCHEMBL1323840 0.88 HTR1A (0.56) HTR1ASLC6A2SLC6A3SLC6A4DRD2
SCHEMBL12124013 0.87 HTR1A (0.51) HTR1ASLC6A2SLC6A3SLC6A4DRD2
SCHEMBL1323756 0.87 HTR1A (0.70) HTR1ASLC6A2SLC6A3SLC6A4DRD2
SCHEMBL1323806 0.84 HTR1A (0.54) HTR1ASLC6A2SLC6A3SLC6A4DRD2
SCHEMBL1406042 0.83 HTR1A (0.57) HTR1ASLC6A2SLC6A3SLC6A4DRD2
SCHEMBL1324173 0.83 HTR1A (0.54) HTR1ASLC6A2SLC6A3SLC6A4DRD2
SCHEMBL1323752 0.82 HTR1A (0.53) HTR1ASLC6A2SLC6A3SLC6A4DRD2
SCHEMBL12121308 0.82 HTR1A (0.52) HTR1ASLC6A2SLC6A3SLC6A4DRD2
SCHEMBL1322887 0.81 HTR1A (0.52) HTR1ASLC6A2SLC6A3SLC6A4DRD2
SCHEMBL1322969 0.81 HTR1A (0.57) HTR1AHTR1DHTR1B

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 23 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
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-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 HTR1A 3/4885SLC6A2 30/4885SLC6A3 51/4885
US-20090291963-A1 SUBSTITUTED INDOLES TPH2, TPH1, HTR1A HTR1A 3/4885SLC6A2 31/4885SLC6A3 47/4885
US-20050153980-A1 Substituted indoles TPH2, TPH1, HTR1A HTR1A 3/4885SLC6A2 31/4885SLC6A3 47/4885

“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.