SCHEMBL1322955

SCHEMBL1322955

N#Cc1c[nH]c2ccc(CCCN3CCN(c4nsc5ccccc45)CC3)cc12

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.63
HTR7 P34969 4/20 0.63
DRD2 P14416 2/20 0.48
HTR2A P28223 2/20 0.48
KCNH2 Q12809 1/20 0.48
HTR6 P50406 1/20 0.47

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
SCHEMBL13096995 0.84 HTR1A (0.63) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL16088497 0.84 HTR1A (0.63) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL1406371 0.82 HTR1A (0.43) HTR1AHTR7DRD2HTR2A
SCHEMBL1322961 0.80 HTR1D (0.55) HTR1ADRD2HTR2A
SCHEMBL29515592 0.79 HTR1A (0.80) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL5763172 0.78 HTR1A (0.60) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL1323836 0.77 HTR1A (0.47) HTR1ADRD2HTR2AKCNH2HTR6
SCHEMBL1322969 0.77 HTR1A (0.57) HTR1A
SCHEMBL6748040 0.77 HTR1A (0.52) HTR1AHTR7DRD2HTR2AKCNH2
SCHEMBL6747707 0.77 HTR1A (0.52) HTR1AHTR7DRD2HTR2AHTR6

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 68 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-20170173009-A1 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. 2017-06-22 US disclosed
US-20170172993-A1 Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. 2017-06-22 US disclosed
US-9656955-B2 Pyrrolidine derivatives, pharmaceutical compositions containing them, and their use in therapy ABBVIE INC. (US) 2017-05-23 US disclosed
US-9586945-B2 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-07 US disclosed
US-9586942-B2 Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-07 US disclosed
US-9550754-B2 4,5-dihydropyrazole derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2017-01-24 US disclosed
US-9365512-B2 Isoindoline derivatives, pharmaceutical compositions containing them, and their use in therapy AbbVie Deutschland GmbH & Co. KG (DE) 2016-06-14 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 (5 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-20170172993-A1 Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy AADAT, BCAT1, GFPT1 HTR1A 358/4885HTR7 441/4885DRD2 847/4885
US-20090054459-A1 Substituted indoles TPH2, TPH1, HTR1A HTR1A 3/4885HTR7 15/4885DRD2 25/4885
US-20090291963-A1 SUBSTITUTED INDOLES TPH2, TPH1, HTR1A HTR1A 3/4885HTR7 16/4885DRD2 24/4885
US-20050153980-A1 Substituted indoles TPH2, TPH1, HTR1A HTR1A 3/4885HTR7 16/4885DRD2 24/4885
US-20170173009-A1 Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy SLC7A1, BCAT1, AADAT HTR1A 274/4885HTR7 469/4885DRD2 2569/4885

“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.