SCHEMBL4145146

SCHEMBL4145146

Fc1ccnc2c(N3CCNCC3)cccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.60
HTR2A P28223 2/20 0.60
HTR2C P28335 2/20 0.60
NCF1 P14598 3/20 0.58
ADRB2 P07550 1/20 0.52
MAPT P10636 2/20 0.52
HTR1A P08908 4/20 0.50
HTR6 P50406 4/20 0.50
HTR7 P34969 2/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
HTR1D P28221 1/20 0.50
HTR1B P28222 1/20 0.50
MTOR P42345 1/20 0.50
HTR3A P46098 1/20 0.50
HTR5A P47898 1/20 0.50

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
SCHEMBL3566110 0.88 MAPT (0.62) SLC6A4HTR2AHTR2CNCF1ADRB2
SCHEMBL30058953 0.82 NCF1 (0.69) SLC6A4HTR2AHTR2CNCF1ADRB2
SCHEMBL5370353 0.78 HTR6 (0.64) SLC6A4HTR2ANCF1ADRB2HTR1A
SCHEMBL28710430 0.77 NCF1 (0.58) SLC6A4HTR2AHTR2CNCF1ADRB2
Hydrochloric Acid SCHEMBL5254130 0.76 KDM4E (0.65) SLC6A4HTR2ANCF1ADRB2HTR1A
SCHEMBL24608018 0.76 NCF1 (0.51) SLC6A4HTR2AHTR2CNCF1ADRB2
SCHEMBL30627196 0.76 NCF1 (0.51) SLC6A4HTR2AHTR2CNCF1ADRB2
SCHEMBL5363405 0.75 HTR2A (0.67) SLC6A4HTR2AHTR2CNCF1ADRB2
SCHEMBL1045944 0.75 HTR2A (1.00) SLC6A4HTR2AHTR2CNCF1MAPT
SCHEMBL3563724 0.74 NCF1 (0.66) SLC6A4HTR2AHTR2CNCF1ADRB2

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-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-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use WYETH 2005-03-17 US disclosed
EP-1147083-B1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2004-06-16 EP disclosed
US-6465482-B2 ANTIDEPRESSANTS; ANXIOLYTIC AGENTS; SEROTONIN-AFFECTED NERVOUS SYSTEM DISORDERS; ACTING AT THE 5-HT1A AUTORECEPTORS CONCOMMITANTLY WITH 5-HT TRANSPORTERS; ANTISEROTONIN AGENTS; SEROTONIN REUPTAKE INHIBITORS; HT3 RECEPTOR ANTAGONISTS WYETH 2002-10-15 US disclosed
US-6313126-B1 FOR THRERAPY OF DISORDERS ASSOCIATED WITH DYSFUNCTION IN SEROTONERGIC NEUROTRANSMISSION, INCLUDING DEPRESSION AND ANXIETY AMERICAN HOME PRODUCTS CORP 2001-11-06 US disclosed
EP-1147083-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-24 EP disclosed
WO-2000040554-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 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 (2 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 SLC6A4 14/4885HTR2A 7/4885HTR2C 3/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C SLC6A4 14/4885HTR2A 7/4885HTR2C 3/4885

“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.