SCHEMBL4587367

SCHEMBL4587367

NC(=O)[N]c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.54
HTR3E A5X5Y0 2/20 0.54
HTR3B O95264 2/20 0.54
HTR3A P46098 2/20 0.54
HTR3D Q70Z44 2/20 0.54
HTR3C Q8WXA8 2/20 0.54
SLC22A2 O15244 1/20 0.54
SLC22A1 O15245 1/20 0.54
SLC22A3 O75751 1/20 0.54
PLAU P00749 1/20 0.54
CYP2D6 P10635 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NOS3 P29474 4/20 0.45
NOS1 P29475 4/20 0.45
NOS2 P35228 4/20 0.45
NPC1 O15118 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CES2 O00748 1/20 0.42

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
SCHEMBL1507738 0.78 ALOX15 (0.48) CYP2C19HTR3EHTR3BHTR3AHTR3D
SCHEMBL3644220 0.76 CYP2C19 (0.43) CYP2C19HTR3EHTR3BHTR3AHTR3D
SCHEMBL3962045 0.76 SLC22A2 (0.54) SLC22A2SLC22A1SLC22A3PLAUNOS3
SCHEMBL163160 0.76 HTR3E (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10794558 0.76 HTR3E (0.64) CYP2C19HTR3EHTR3BHTR3AHTR3D
SCHEMBL54470 0.75 HTR3E (0.50) CYP2C19HTR3EHTR3BHTR3AHTR3D
SCHEMBL3676774 0.74 HTR3E (0.66) HTR3EHTR3BHTR3AHTR3DHTR3C
Bicarbonate SCHEMBL27729117 0.73 HTR3E (0.83) CYP2C19HTR3EHTR3BHTR3AHTR3D
SCHEMBL2332722 0.73 GSK3B (0.48) CYP2C19HTR3EHTR3BHTR3AHTR3D
SCHEMBL230956 0.71 PLG (0.54) CYP2C19CYP2D6TDP1NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-10-30 US disclosed
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-22 US disclosed
US-7268140-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AG (DE) 2007-09-11 US disclosed
EP-1713483-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MULTIPLE MYELOMA Schering Aktiengesellschaft (DE) 2006-10-25 EP disclosed
US-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents BAUMAN JOHN G 2006-06-22 US disclosed
US-6977258-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-20 US disclosed
US-6972290-B2 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGESELLSCHAFT (DE) 2005-12-06 US disclosed
US-20050192282-A1 Chemokine inhibiting piperazine derivatives and their use to treat multiple myeloma SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-01 US disclosed
WO-2005077372-A1 CHEMOKINE INHIBITING PIPERAZINE DERIVATIVES AND THEIR USE TO TREAT MULTIPLE MYELOMA SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-25 WO disclosed
EP-1254899-B1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AG (DE) 2005-05-25 EP disclosed
EP-0988292-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS SCHERING AG (DE) 2003-02-12 EP disclosed
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents SCHERING AKTIENGSCHELLSCHAFT 2002-11-28 US disclosed
EP-1254899-A2 Piperazine derivatives and their use as anti-inflammatory agents Schering Aktiengesellschaft (DE) 2002-11-06 EP disclosed
US-6207665-B1 TO TREAT INFLAMMATORY DISORDERS IN HUMANS SCHERING AKTIENGESELLSCHAFT (DE) 2001-03-27 US disclosed
EP-0346683-A1 Pyrrole derivatives, their preparation and their use CASSELLA Aktiengesellschaft (DE) 1989-12-20 EP disclosed
EP-0127162-B1 COLOR PHOTOGRAPHIC LIGHT-SENSITIVE MATERIAL FUJI PHOTO FILM CO., LTD. (JP) 1989-11-15 EP disclosed
US-4842985-A COUPLER HAVING DYE MOIETY WITH SHIFTED MAXIMUM ABSORPTION WAVELENGTH, HUE-FIXING COMPOUND FUJI PHOTO FILM CO., LTD. (JP) 1989-06-27 US disclosed
US-4585728-A 2-EQUIVALENT MAGENTA COUPLER AND AMINE FUJI PHOTO FILM CO., LTD. (JP) 1986-04-29 US disclosed
US-4555479-A CONTAINING 5-PYRAZOLONE TYPE MAGENTA COUPLERS AND NITROGEN COMPOUND-PREVENTION STAINING FUJI PHOTO FILM CO., LTD. (JP) 1985-11-26 US disclosed
EP-0127162-A2 Color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1984-12-05 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 (5 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-20060135487-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES CYP2C19 1048/4885HTR3E 1363/4885HTR3B 1754/4885
US-20080269247-A1 Chemokine Inhibiting Piperazine Derivatives and Their Use to Treat Myocarditis CCL2, CCR2, CXCL10 CYP2C19 2592/4885HTR3E 1435/4885HTR3B 1456/4885
US-20020177598-A1 Piperazine derivatives and their use as anti-inflammatory agents IL5, PTGES2, PTGES CYP2C19 1048/4885HTR3E 1363/4885HTR3B 1754/4885
US-20050192282-A1 Chemokine inhibiting piperazine derivatives and their use to treat multiple myeloma CCL2, CCL11, CCL5 CYP2C19 4290/4885HTR3E 3174/4885HTR3B 3063/4885
US-20080119471-A1 Piperazine urea derivatives for the treatment of endometriosis ESR2, GPER1, SLC14A1 CYP2C19 804/4885HTR3E 3671/4885HTR3B 2514/4885

“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.