SCHEMBL4840057

SCHEMBL4840057

N#Cc1ccc2[nH]cc(CCCCNCc3ccncc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.54
MPO P05164 1/20 0.51
HTR1A P08908 8/20 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
SCHEMBL4834560 0.91 SLC6A4 (0.54) SLC6A4HTR1A
SCHEMBL4834380 0.88 SLC6A4 (0.50) SLC6A4MPOHTR1A
SCHEMBL4838168 0.87 SLC6A4 (0.49) SLC6A4MPOHTR1A
SCHEMBL4834686 0.85 SLC6A4 (0.52) SLC6A4MPOHTR1A
SCHEMBL4834807 0.85 SLC6A4 (0.49) SLC6A4MPOHTR1A
SCHEMBL4841807 0.85 SLC6A4 (0.52) SLC6A4MPOHTR1A
SCHEMBL4830814 0.83 SLC6A4 (0.49) SLC6A4MPOHTR1A
SCHEMBL4841842 0.82 SLC6A4 (0.49) SLC6A4MPOHTR1A
SCHEMBL4830718 0.82 SLC6A4 (0.51) SLC6A4MPOHTR1A
SCHEMBL4840462 0.81 SLC6A4 (0.46) SLC6A4MPOHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
CN-1708303-A pyridylalkyl-aminoalkyl-1H-indole derivatives as antidepressants and anxiolytics having 5-HT and serotonin reuptake inhibition MERCK PATENT GMBH (DE) 2005-12-14 CN claimed
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
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-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-1708303-A pyridylalkyl-aminoalkyl-1H-indole derivatives as antidepressants and anxiolytics having 5-HT and serotonin reuptake inhibition MERCK PATENT GMBH (DE) 2005-12-14 CN 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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.