SCHEMBL3441206

SCHEMBL3441206

c1ccc2nc(N3CCNCC3)c(-c3cc4ccccc4s3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ TDP1 Q9NUW8 5/20 0.48
▸ L3MBTL1 Q9Y468 4/20 0.48
▸ CHEK1 O14757 2/20 0.45
▸ HTR2C P28335 3/20 0.45
▸ HTR1A P08908 2/20 0.45
▸ HTR6 P50406 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ HTR3E A5X5Y0 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ HTR3B O95264 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ ADRB1 P08588 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ HTR7 P34969 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ HTR3A P46098 1/20 0.45
▸ PMP22 Q01453 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
SCHEMBL7261980 0.79 KDM4E (0.76) KDM4EALDH1A1TDP1L3MBTL1HTR2C
SCHEMBL6770354 0.74 ADRB1 (0.56) KDM4EALDH1A1TDP1L3MBTL1HTR2C
Hydrochloric Acid SCHEMBL30222843 0.73 ADRB1 (0.55) KDM4EALDH1A1TDP1L3MBTL1HTR2C
SCHEMBL6225002 0.73 HTR6 (0.54) KDM4EALDH1A1TDP1L3MBTL1HTR2C
SCHEMBL16087144 0.73 KDM4E (0.54) KDM4EALDH1A1TDP1L3MBTL1HTR2C
SCHEMBL24970932 0.73 TDP1 (0.54) KDM4EALDH1A1TDP1L3MBTL1HTR2C
SCHEMBL24971049 0.73 HTR6 (0.54) KDM4EALDH1A1TDP1L3MBTL1HTR2C
SCHEMBL24969918 0.73 HTR3A (0.54) KDM4EALDH1A1TDP1L3MBTL1HTR2C
SCHEMBL31142864 0.73 HTR3A (0.54) KDM4EALDH1A1TDP1L3MBTL1HTR2C
SCHEMBL27634829 0.72 KDM4E (0.48) KDM4EALDH1A1TDP1L3MBTL1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE VENKATESAN ARANAPAKAM MUDUMBAI 2009-02-26 — — US claimed
CN-1812984-A Benzofuranyl-piperazinyl and benzothienyl-piperazinyl quinolines as 5-hydroxytryptamine reuptake inhibitors WHETH CORP (US) 2006-08-02 — — CN claimed
EP-1641785-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIBITORS Wyeth (US) 2006-04-05 — — EP claimed
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use WYETH 2005-03-17 — — US claimed
WO-2004099191-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIB ITORS WYETH (US) 2004-11-18 — — WO claimed
US-20110059982-A1 AZAINDOLE COMPOUNDS FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-03-10 — — US disclosed
EP-2250170-A1 AZAINDOLE COMPOUNDS FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Merck Patent GmbH (DE) 2010-11-17 — — EP disclosed
WO-2009112139-A1 AZAINDOLE COMPOUNDS FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS MERCK PATENT GMBH, (DE) 2009-09-17 — — WO disclosed
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE VENKATESAN ARANAPAKAM MUDUMBAI 2009-02-26 — — US disclosed
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE VENKATESAN ARANAPAKAM MUDUMBAI 2009-02-26 — — US disclosed
US-7276603-B2 serotonin receptor antagonists such as 8-{4-[2-(1-benzofuran-3-yl)ethyl]-1-piperazinyl}-6-fluoroquinoline, used for treatment and/or prevention of depression, anxiety and cognitive deficits arising from Alzheimer's disease, neurodegenerative disorders, schizophrenia and prostate cancer WYETH (US) 2007-10-02 — — US disclosed
US-7276603-B2 serotonin receptor antagonists such as 8-{4-[2-(1-benzofuran-3-yl)ethyl]-1-piperazinyl}-6-fluoroquinoline, used for treatment and/or prevention of depression, anxiety and cognitive deficits arising from Alzheimer's disease, neurodegenerative disorders, schizophrenia and prostate cancer WYETH (US) 2007-10-02 — — US disclosed
CN-1812984-A Benzofuranyl-piperazinyl and benzothienyl-piperazinyl quinolines as 5-hydroxytryptamine reuptake inhibitors WHETH CORP (US) 2006-08-02 — — CN disclosed
EP-1641785-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIBITORS Wyeth (US) 2006-04-05 — — EP disclosed
EP-1641785-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIBITORS Wyeth (US) 2006-04-05 — — EP disclosed
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use WYETH 2005-03-17 — — US disclosed
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use WYETH 2005-03-17 — — US disclosed
WO-2004099191-A3 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIB ITORS WYETH CORP (US) 2005-02-10 — — WO disclosed
WO-2004099191-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIB ITORS WYETH (US) 2004-11-18 — — WO disclosed
WO-2004099191-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIB ITORS WYETH (US) 2004-11-18 — — 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 (3 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-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE TPH1, TPH2, HTR2C KDM4E 2515/4885ALDH1A1 828/4885TDP1 909/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C KDM4E 2515/4885ALDH1A1 828/4885TDP1 909/4885
US-20110059982-A1 AZAINDOLE COMPOUNDS FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS PMP22, PNMT, GRIN2C KDM4E 1530/4885ALDH1A1 1711/4885TDP1 1490/4885

“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.

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