SCHEMBL1322803

SCHEMBL1322803

N#Cc1c[nH]c2cccc(CCCN3CCC(C(F)c4ccccc4)CC3)c12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.44
HTR2A P28223 4/20 0.44
HTR1A P08908 3/20 0.40
KCNH2 Q12809 3/20 0.38
HTR6 P50406 3/20 0.38
SLC6A4 P31645 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2C P28335 1/20 0.37
HTR1D P28221 4/20 0.37
HTR1B P28222 4/20 0.37
HRH1 P35367 1/20 0.36

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
SCHEMBL1322801 0.80 CCR3 (0.47) SLC6A2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL1323783 0.77 HRH3 (0.42) SLC6A2HTR2AHTR1AKCNH2SLC6A4
SCHEMBL1322840 0.77 GRIN2B (0.47) HTR2AHTR1DHTR1B
SCHEMBL1322749 0.76 SLC6A2 (0.39) SLC6A2HTR2AHTR1AKCNH2HTR6
SCHEMBL1322758 0.75 HTR1A (0.46) HTR2AHTR1AKCNH2SLC6A4HTR7
SCHEMBL12123976 0.71 HTR1A (0.37) SLC6A2HTR2AHTR1AKCNH2HTR6
SCHEMBL8325652 0.70 HTR1A (0.50) HTR2AHTR1ASLC6A4HTR1DHTR1B
SCHEMBL12121390 0.68 IMPDH2 (0.42) SLC6A2HTR2AHTR1AHTR6SLC6A4
SCHEMBL9696701 0.67 DRD2 (0.52) HTR2AHTR1AKCNH2HTR6
SCHEMBL29926495 0.65 IMPDH2 (0.47) SLC6A2HTR2AHTR1ASLC6A4HTR2C

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 SLC6A2 30/4885HTR2A 4/4885HTR1A 3/4885
US-20090291963-A1 SUBSTITUTED INDOLES TPH2, TPH1, HTR1A SLC6A2 31/4885HTR2A 4/4885HTR1A 3/4885
US-20050153980-A1 Substituted indoles TPH2, TPH1, HTR1A SLC6A2 31/4885HTR2A 4/4885HTR1A 3/4885

“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.