SCHEMBL3924932

SCHEMBL3924932

COc1cc(N2CCN(Cc3ccccc3)CC2)c2ncccc2c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.58
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
SIGMAR1 Q99720 2/20 0.51
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
DRD3 P35462 2/20 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
SCHEMBL3559925 0.90 HTR1A (0.72) HTR1AKDM4EALDH1A1
SCHEMBL6638117 0.84 HTR1A (0.53) HTR1AKDM4EALDH1A1GAASIGMAR1
SCHEMBL6637087 0.84 NCF1 (0.53) HTR1AKDM4EALDH1A1GAASIGMAR1
SCHEMBL14266792 0.82 USP2 (0.53) HTR1AKDM4EALDH1A1DRD2DRD4
SCHEMBL6637537 0.82 HTR1A (0.51) HTR1AALDH1A1DRD2DRD4DRD3
SCHEMBL6640750 0.82 HTR1A (0.49) HTR1AKDM4EALDH1A1GAASIGMAR1
SCHEMBL6637562 0.80 DRD2 (0.61) HTR1AALDH1A1DRD2DRD4DRD3
SCHEMBL6663048 0.80 HTR3E (0.47) HTR1AALDH1A1DRD2DRD4DRD3
SCHEMBL6663053 0.79 HTR3E (0.47) HTR1AKDM4EALDH1A1DRD2DRD4
SCHEMBL3555203 0.78 HTR2A (0.62) HTR1A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671056-B2 Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor WYETH LLC (US) 2010-03-02 US disclosed
US-7671056-B2 Piperazine-piperidine antagonists and agonists of the 5-HT1A receptor WYETH LLC (US) 2010-03-02 US disclosed
EP-2035384-A2 PROCESS FOR SYNTHESIZING PIPERAZINE-PIPERIDINE COMPOUNDS Wyeth a Corporation of the State of Delaware (US) 2009-03-18 EP disclosed
US-20080058523-A1 Processes for synthesizing piperazine-piperidine compounds WYETH 2008-03-06 US disclosed
US-20080058523-A1 Processes for synthesizing piperazine-piperidine compounds WYETH 2008-03-06 US disclosed
US-20080058523-A1 Processes for synthesizing piperazine-piperidine compounds WYETH 2008-03-06 US disclosed
WO-2007146072-A2 PROCESS FOR SYNTHESIZING PIPERAZINE-PIPERIDINE COMPOUNDS WYETH (US) 2007-12-21 WO disclosed
US-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction WYETH (US) 2007-02-01 US disclosed
US-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction WYETH (US) 2007-02-01 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-20020045628-A1 Arylpiperazinyl-cyclohexyl indole derivatives for the treatment of depression AMERICAN HOME PRODUCTS CORPORATION (US) 2002-04-18 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 (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-20080058523-A1 Processes for synthesizing piperazine-piperidine compounds HTR5A, HTR2A, HTR1A HTR1A 3/4885KDM4E 2874/4885ALDH1A1 281/4885
US-20020045628-A1 Arylpiperazinyl-cyclohexyl indole derivatives for the treatment of depression HTR2C, TPH1, TPH2 HTR1A 9/4885KDM4E 1582/4885ALDH1A1 3101/4885
US-20070027160-A1 5-fluoro-8-(4-(4-(6-methoxyquinolin-8-yl)piperazin-1-yl)piperidin-1-yl)quinoline; central nervous system disorders, such as cognition disorders, anxiety disorders, depression and sexual dysfunction HTR5A, HTR2C, HTR1D HTR1A 4/4885KDM4E 907/4885ALDH1A1 752/4885

“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.