SCHEMBL4408779

SCHEMBL4408779

CNCc1cc(Br)cc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
TAAR1 Q96RJ0 2/20 0.42
IDO1 P14902 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
PRMT6 Q96LA8 7/20 0.34
NOS1 P29475 2/20 0.33
NCF1 P14598 1/20 0.33
CARM1 Q86X55 1/20 0.33
HTR7 P34969 1/20 0.32
EPHX2 P34913 1/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32

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 SCHEMBL4408891 0.97 KDM4E (0.46) KDM4ECYP3A4MAPTTAAR1IDO1
SCHEMBL6907497 0.86 TACR1 (0.38) KDM4ECYP3A4MAPTTAAR1IDO1
SCHEMBL30934858 0.84 TAAR1 (0.36) KDM4ECYP3A4MAPTTAAR1IDO1
SCHEMBL19354832 0.84 CD274 (0.40) KDM4ECYP3A4MAPTTAAR1IDO1
SCHEMBL6911662 0.84 TAAR1 (0.36) KDM4ECYP3A4MAPTTAAR1IDO1
Hydrochloric Acid SCHEMBL6913331 0.84 KDM4E (0.40) KDM4ECYP3A4MAPTTAAR1IDO1
SCHEMBL19442430 0.81 LOXL2 (0.52) KDM4ECYP3A4MAPTTAAR1LOXL2
SCHEMBL13339967 0.80 KDM4E (0.52) KDM4ECYP3A4MAPTLOXL2PRMT6
SCHEMBL10175000 0.77 ALOX5 (0.43) CYP3A4MAPTIDO1
SCHEMBL29455232 0.77 TAAR1 (0.66) KDM4ECYP3A4MAPTTAAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
EP-1558577-B1 SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS GLAXO GROUP LTD (GB) 2009-12-30 EP disclosed
US-7442692-B2 Indanyl-piperazine compounds LES LABORATOIRES SERVIER (FR) 2008-10-28 US disclosed
WO-2006103342-A9 INDANYL-PIPERAZINE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2007-10-25 WO disclosed
EP-1707564-B1 Indanyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2007-09-12 EP disclosed
US-7214680-B2 2-substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2007-05-08 US disclosed
US-20060223830-A1 Indanyl-piperazine compounds LES LABORATOIRES SERVIER (FR) 2006-10-05 US disclosed
WO-2006103342-A2 INDANYL-PIPERAZINE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2006-10-05 WO disclosed
EP-1707564-A2 Indanyl-piperazine derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2006-10-04 EP disclosed
EP-1517894-B1 N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LTD (GB) 2006-09-06 EP disclosed
EP-1558577-A2 SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-08-03 EP disclosed
EP-1517894-A1 N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-03-30 EP disclosed
EP-1112998-B1 AMINE DERIVATIVES POLA CHEM IND INC (JP) 2004-12-08 EP disclosed
US-20040242592-A1 2-Substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2004-12-02 US disclosed
EP-1423117-A1 2-SUBSTITUTED 1-ARYLPIPERAZINES AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-06-02 EP disclosed
WO-2004005256-A2 SUBSTITUTED 4-PHENYL-PIPERIDIN-AMIDES AS TACHYKININ ANTAGONISTS AND SEROTONIN REPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-01-15 WO disclosed
WO-2004005255-A1 N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ AND/ OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-01-15 WO disclosed
US-6586633-B1 Antifungal agents POLA CHEMICAL INDUSTRIES, INC. (JP) 2003-07-01 US disclosed
WO-2003015784-A1 2-SUBSTITUTED 1-ARYLPIPERAZINES AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-02-27 WO disclosed
EP-1112998-A1 AMINE DERIVATIVES POLA CHEMICAL INDUSTRIES, INC. (JP) 2001-07-04 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 (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-20060223830-A1 Indanyl-piperazine compounds HTR4, NR4A1, NR4A3 KDM4E 1559/4885CYP3A4 40/4885MAPT 3623/4885
US-20040242592-A1 2-Substituted 1-arylpiperazines as tachykinin antagonists and/or serotonin reuptake inhibitors SLC6A4, TPH1, HTR1D KDM4E 2349/4885CYP3A4 996/4885MAPT 2501/4885

“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.