SCHEMBL4833994

SCHEMBL4833994

N#Cc1ccc2[nH]cc(CCCCN)c2c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.67
MPO P05164 4/20 0.63
HTR1A P08908 1/20 0.53

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
SCHEMBL5234124 0.96 SLC6A4 (0.69) SLC6A4MPOHTR1A
SCHEMBL2531600 0.90 SLC6A4 (0.64) SLC6A4MPOHTR1A
Hydrochloric Acid SCHEMBL7494814 0.88 SLC6A4 (0.63) SLC6A4MPOHTR1A
SCHEMBL29499049 0.86 SLC6A4 (0.67) SLC6A4HTR1A
SCHEMBL8545690 0.86 SLC6A4 (0.67) SLC6A4HTR1A
SCHEMBL27859575 0.86 SLC6A4 (0.67) SLC6A4HTR1A
SCHEMBL29441818 0.86 SLC6A4 (0.67) SLC6A4HTR1A
SCHEMBL12527430 0.86 SLC6A4 (0.67) SLC6A4HTR1A
SCHEMBL3103671 0.86 SLC6A4 (0.67) SLC6A4HTR1A
SCHEMBL3082624 0.86 SLC6A4 (0.67) SLC6A4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482465-B2 Indol derivatives and their use as 5-HT ligands MERCK PATENT GMBH (DE) 2009-01-27 US disclosed
US-7432282-B2 Pyridinalkyl-aminoalkyl-IH-indole derivatives having an inhibitory action on 5-HT and serotonin reuptake as antidepressants and anxiolytics MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-10-07 US disclosed
US-7432282-B2 Pyridinalkyl-aminoalkyl-IH-indole derivatives having an inhibitory action on 5-HT and serotonin reuptake as antidepressants and anxiolytics MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-10-07 US disclosed
US-7432282-B2 Pyridinalkyl-aminoalkyl-IH-indole derivatives having an inhibitory action on 5-HT and serotonin reuptake as antidepressants and anxiolytics MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-10-07 US disclosed
US-7262216-B2 For use as antidepressants, anxiolytics, antipsychotics, neuroleptics and/or antihypertonics, have actions on the central nervous system, in particular 5-HT reuptake-inhibiting actions, in that they influence serotoninergic transmission, they have a strong affinity to the 5-HT1A receptors MERCK PATENT GESELLSCHAFT (DE) 2007-08-28 US disclosed
US-7253202-B2 Substituted benzodioxepines MERCK PATENT GMBH (DE) 2007-08-07 US disclosed
EP-1569930-B1 INDOL DERIVATIVES AND THEIR USE AS 5-HT LIGANDS MERCK PATENT GMBH (DE) 2007-01-03 EP disclosed
EP-1572685-B1 SUBSTITUTED BENZODIOXEPINS MERCK PATENT GMBH (DE) 2007-01-03 EP disclosed
EP-1562596-B1 DERIVATIVES OF PYRIDINALKYL-AMONOALKYL-1H-INDOLE INHIBITING RECEPTORS 5-HT AND RECAPTURE OF SEROTONIN WHICH CAN BE USED AS ANTIDEPRESSANT AND ANXIOLITIC MERCK PATENT GMBH (DE) 2006-08-30 EP disclosed
US-20060167078-A1 Substituted benzodioxepins MERCK PATENT GMBH (DE) 2006-07-27 US disclosed
US-20060063811-A1 PYRIDINALKYL-AMINOALKYL-IH-INDOLE DERIVATIVES HAVING AN INHIBITORY ACTION ON 5-HT AND SEROTONIN REUPTAKE AS ANTIDEPRESSANTS AND ANXIOLYTICS MERCK PATENT GMBH (DE) 2006-03-23 US disclosed
CN-1723209-A Indol derivatives and their use as 5-HT ligands MERCK PATENT GMBH (DE) 2006-01-18 CN disclosed
EP-1572685-A1 SUBSTITUTED BENZODIOXEPINS MERCK PATENT GmbH (DE) 2005-09-14 EP disclosed
EP-1562596-A1 DERIVATIVES OF PYRIDINALKYL-AMONOALKYL-1H-INDOLE INHIBITING RECEPTORS 5-HT AND RECAPTURE OF SEROTONIN WHICH CAN BE USED AS ANTIDEPRESSANT AND ANXIOLITIC MERCK PATENT GmbH (DE) 2005-08-17 EP disclosed
WO-2004058746-A1 SUBSTITUTED BENZODIOXEPINS MERCK PATENT GMBH (DE) 2004-07-15 WO disclosed
WO-2004047840-A1 DERIVATIVES OF PYRIDINALKYL-AMONOALKYL-1H-INDOLE INHIBITING RECEPTORS 5-HT AND RECAPTURE OF SEROTONIN WHICH CAN BE USED AS ANTIDEPRESSANT AND ANXIOLITIC MERCK PATENT GMBH (DE) 2004-06-10 WO disclosed
EP-0496222-B1 Indole derivatives MERCK PATENT GMBH (DE) 1998-09-09 EP disclosed
US-5418237-A Indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-05-23 US disclosed
EP-0496222-A1 Indole derivatives MERCK PATENT GmbH (DE) 1992-07-29 EP 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 (2 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-20060167078-A1 Substituted benzodioxepins HTR1A, HTR4, HTR2B SLC6A4 16/4885MPO 4093/4885HTR1A 1/4885
US-20060063811-A1 PYRIDINALKYL-AMINOALKYL-IH-INDOLE DERIVATIVES HAVING AN INHIBITORY ACTION ON 5-HT AND SEROTONIN REUPTAKE AS ANTIDEPRESSANTS AND ANXIOLYTICS HTR1A, HTR1D, HTR1E SLC6A4 22/4885MPO 4402/4885HTR1A 1/4885

“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.