SCHEMBL3103741

SCHEMBL3103741

CCCCc1c[nH]c2ccc(C#N)cc12

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.73
HTR1A P08908 4/20 0.55

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
SCHEMBL12881233 0.91 SLC6A4 (0.68) SLC6A4HTR1A
SCHEMBL30468389 0.85 SLC6A4 (0.69) SLC6A4HTR1A
SCHEMBL30320095 0.85 SLC6A4 (0.69) SLC6A4HTR1A
SCHEMBL15543730 0.85 SLC6A4 (0.69) SLC6A4HTR1A
SCHEMBL8255694 0.85 SLC6A4 (0.69) SLC6A4HTR1A
SCHEMBL5234124 0.85 SLC6A4 (0.69) SLC6A4HTR1A
SCHEMBL6879916 0.85 SLC6A4 (0.69) SLC6A4HTR1A
SCHEMBL4351901 0.85 SLC6A4 (0.69) SLC6A4HTR1A
SCHEMBL5791054 0.85 SLC6A4 (0.69) SLC6A4HTR1A
SCHEMBL11354043 0.85 SLC6A4 (0.68) 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
CN-104211668-B The preparation method of a kind of vilazodone intermediate and intermediate 上海馨远医药科技有限公司 2016-08-17 CN disclosed
CN-104211668-A Preparation method of vilazodone intermediate and intermediate SHANGHAI BALMXY PHARMACEUTICAL CO LTD 2014-12-17 CN disclosed
CN-103159718-A Method for preparing vilazodone hydrochloride midbody NANJING HUAWE MEDICAL SCIENCE & TECHNOLOGY DEV CO LTD 2013-06-19 CN disclosed
US-7799916-B2 Process for the preparation of 5-(4-[4-(5-cyano-3-indolyl)butyl]-1-piperazinyl)benzofuran-2-carboxamide MERCK PATENT GMBH (DE) 2010-09-21 US disclosed
EP-1874762-B1 METHOD FOR THE PRODUCTION OF 5-(4-[4-(5-CYANO-3-INDOLYL)-BUTYL]-1-PIPERAZINYL)-BENZOFURAN-2-CARBOXAMIDE MERCK PATENT GMBH (DE) 2009-01-14 EP disclosed
US-20080293943-A1 Process for the Preparation of 5-(4-[4-(5-Cyano-3-Indolyl)Butyl]-1-Piperazinyl)Benzofuran-2-Carboxamide MERCK PATENT GMBH (DE) 2008-11-27 US disclosed
EP-1874762-A1 METHOD FOR THE PRODUCTION OF 5-(4-[4-(5-CYANO-3-INDOLYL)-BUTYL]-1-PIPERAZINYL)-BENZOFURAN-2-CARBOXAMIDE Merck Patent GmbH (DE) 2008-01-09 EP disclosed
WO-2006114202-A1 METHOD FOR THE PRODUCTION OF 5-(4-[4-(5-CYANO-3-INDOLYL)-BUTYL]-1-PIPERAZINYL)-BENZOFURAN-2-CARBOXAMIDE MERCK PATENT GMBH (DE) 2006-11-02 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-20080293943-A1 Process for the Preparation of 5-(4-[4-(5-Cyano-3-Indolyl)Butyl]-1-Piperazinyl)Benzofuran-2-Carboxamide IDO1, BRPF3, BRPF1 SLC6A4 442/4885HTR1A 336/4885

“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.