SCHEMBL1889871

SCHEMBL1889871

O=C(O)c1cc2cc(N3CCNCC3)ccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.50
PIM2 Q9P1W9 3/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
HTR3A P46098 1/20 0.48
HTR5A P47898 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
POLB P06746 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTR1A P08908 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
Hydrochloric Acid SCHEMBL15206544 0.99 PIM1 (0.49) PIM1PIM2HTR3EHTR3BHTR3A
Chloromethane SCHEMBL15205595 0.96 PIM1 (0.47) PIM1PIM2HTR3EHTR3BHTR3A
SCHEMBL29449945 0.89 SLC6A2 (0.54) HTR3EHTR3BHTR3AHTR5AHTR3D
SCHEMBL1322886 0.89 SLC6A2 (0.54) HTR3EHTR3BHTR3AHTR5AHTR3D
Hydrochloric Acid SCHEMBL27696929 0.88 SLC6A2 (0.53) HTR3EHTR3BHTR3AHTR5AHTR3D
SCHEMBL13956071 0.88 KDM4E (0.52) HTR3EHTR3BHTR3AHTR5AHTR3D
SCHEMBL28246553 0.86 S1PR1 (0.53) PIM1PIM2POLBLMNATP53
SCHEMBL15205714 0.84
SCHEMBL8805531 0.84 NPC1 (0.46) HTR3EHTR3BHTR3AHTR5AHTR3D
Hydrochloric Acid SCHEMBL15205594 0.83

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016128987-A1 A PROCESS FOR PREPARATION OF 2-BENZOFURANCARBOXAMIDE, 5-[4-[4-(5CYANO-1H-INDOL-3-YL)BUTYL]-1-PIPERAZINYL] FREE BASE AND ITS HYDROCHLORIDE SALT HARMAN FINOCHEM LIMITED (IN) 2016-08-18 WO claimed
CN-103467422-B A kind of method preparing vilazodone intermediate 5-piperazinyl-2-acyl substituted cumarone SHAANXI BUCHANG HIGH-TECH PHARMACEUTICAL CO., LTD. (CN) 2016-02-24 CN claimed
EP-0738722-A1 5-Amino-benzofuran-2-carboxylic acid derivatives MERCK PATENT GmbH (DE) 1996-10-23 EP claimed
CN-108456198-B Preparation method of vilazodone or hydrochloride thereof 江苏豪森药业集团有限公司 2021-11-26 CN disclosed
CN-110092778-B Method for preparing vilazodone intermediate and vilazodone medicine by using cheap metal copper 浙江工业大学 2021-02-09 CN disclosed
CN-107501159-B Synthesis method of vilazodone intermediate 3- (4-chlorobutyl) -5-cyanoindole 连云港恒运药业有限公司 2020-11-24 CN disclosed
CN-109251200-A A kind of preparation method of Vilazodone Hydrochloride 江苏永安制药有限公司 2019-01-22 CN disclosed
CN-108003062-A A kind of synthetic method of list BOC protections bisamination compound 常州吉恩药业有限公司 2018-05-08 CN disclosed
WO-2016128987-A1 A PROCESS FOR PREPARATION OF 2-BENZOFURANCARBOXAMIDE, 5-[4-[4-(5CYANO-1H-INDOL-3-YL)BUTYL]-1-PIPERAZINYL] FREE BASE AND ITS HYDROCHLORIDE SALT HARMAN FINOCHEM LIMITED (IN) 2016-08-18 WO disclosed
EP-2647625-B1 Process for preparing vilazodone hydrochloride ERREGIERRE SPA (IT) 2015-10-21 EP disclosed
CN-103910717-A Novel 5-(4-(4-(5-cyan-1H-indole-3-group)butyl)piperazine-1-group)coumarone-2-formic acid preparation method WUXI WANQUAN MEDICAL TECHNOLOGY CO LTD 2014-07-09 CN disclosed
WO-2014012505-A1 METHOD FOR PREPARING VILAZODONE AND INTERMEDIATE THEREOF 江苏先声药物研究有限公司 (CN) 2014-01-23 WO disclosed
US-8575161-B2 Benzofurane, benzothiophene, benzothiazol derivatives as FXR modulators MERCK PATENT GMBH (DE) 2013-11-05 US disclosed
EP-2647625-A1 Process for preparing vilazodone hydrochloride ERREGIERRE S.p.A. (IT) 2013-10-09 EP disclosed
CN-103304526-A Novel preparation method of 5-(piperazin-yl)benzofuran-2-formic acid WUXI WANQUAN MEDICAL TECHNOLOGY CO LTD 2013-09-18 CN disclosed
CN-103304526-A Novel preparation method of 5-(piperazin-yl)benzofuran-2-formic acid WUXI WANQUAN MEDICAL TECHNOLOGY CO LTD 2013-09-18 CN disclosed
US-20110105475-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS MERXCK PATENT GESELLSCHAFT (DE) 2011-05-05 US disclosed
EP-0648767-B1 Piperdine and piperazine derivatives which affect the C.N.S. MERCK PATENT GMBH (DE) 1997-05-28 EP disclosed
US-5532241-A Piperidines and piperazines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed
EP-0648767-A1 Piperdine and piperazine derivatives which affect the C.N.S. MERCK PATENT GmbH (DE) 1995-04-19 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 (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-20110105475-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS FXR1, FXR2, NR1H4 PIM1 4649/4885PIM2 4563/4885HTR3E 1419/4885

“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.