SCHEMBL4834747

SCHEMBL4834747

CN(CCCCc1c[nH]c2ccc(C#N)cc12)Cc1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.59
HTR1A P08908 9/20 0.46
HTR6 P50406 1/20 0.45

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
SCHEMBL4834380 0.80 SLC6A4 (0.50) SLC6A4HTR1A
SCHEMBL9830738 0.80 HTR6 (0.67) SLC6A4HTR6
SCHEMBL8656583 0.79 SLC6A4 (0.48) SLC6A4HTR1A
SCHEMBL27842093 0.75 SLC6A4 (0.64) SLC6A4HTR6
SCHEMBL4834742 0.74 SLC6A4 (0.50) SLC6A4HTR1A
SCHEMBL24243716 0.74 SLC6A4 (0.70) SLC6A4HTR1A
SCHEMBL1122134 0.73 SLC6A4 (0.85) SLC6A4HTR1AHTR6
SCHEMBL12204700 0.71 TRPM8 (0.66) SLC6A4HTR6
SCHEMBL9264529 0.71 SLC6A4 (0.66) SLC6A4HTR1A
SCHEMBL3103741 0.71 SLC6A4 (0.73) 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 8 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
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 claimed
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 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

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 22/4885HTR1A 1/4885HTR6 15/4885

“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.