SCHEMBL4969090

SCHEMBL4969090

CC(CO)Nc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.50
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 3/20 0.45
ALOX12 P18054 1/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP1A2 P05177 1/20 0.43
LMNA P02545 1/20 0.43
CXCR4 P61073 1/20 0.43
MEN1 O00255 1/20 0.42
MAPK10 P53779 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 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
SCHEMBL4969096 1.00 FDPS (0.50) FDPSKDM4EHTTNPSR1L3MBTL1
SCHEMBL7465452 1.00 FDPS (0.50) FDPSKDM4EHTTNPSR1L3MBTL1
SCHEMBL24568583 0.83 HCAR3 (0.50) FDPSKDM4EHTTNPSR1L3MBTL1
SCHEMBL6442872 0.83 HCAR3 (0.50) FDPSKDM4EHTTNPSR1L3MBTL1
SCHEMBL19581191 0.81 KDM4E (0.46) FDPSKDM4EHTTNPSR1L3MBTL1
SCHEMBL1831586 0.81 KDM4E (0.46) FDPSKDM4EHTTNPSR1L3MBTL1
SCHEMBL21018364 0.80 TLR8 (0.47) FDPSKDM4EHTTNPSR1L3MBTL1
SCHEMBL6439928 0.80 TLR8 (0.47) FDPSKDM4EHTTNPSR1L3MBTL1
SCHEMBL9645509 0.80 CYP2D6 (0.54) FDPSKDM4EHTTNPSR1L3MBTL1
SCHEMBL18190268 0.80 POLB (0.51) FDPSKDM4EHTTNPSR1L3MBTL1

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-6133449-A Processes and intermediates for the preparation of piperazine derivatives JOHN WYETH & BROTHER LTD. (GB) 2000-10-17 US claimed
EP-0763024-A1 NOVEL PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF PIPERAZINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1997-03-19 EP claimed
WO-1995033725-A1 NOVEL PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF PIPERAZINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1995-12-14 WO claimed
EP-1972615-A1 CYCLOALKANECARBOXAMIDE DERIVATIVE AND METHOD FOR PRODUCING SAME SEIKAGAKU CORPORATION (JP) 2008-09-24 EP disclosed
US-7135587-B2 Urea and urethane derivatives as integrin inhibitors MERCK PATENT GMBH (DE) 2006-11-14 US disclosed
EP-1343764-B1 UREA AND URETHANE DERIVATIVES AS INTEGRIN INHIBITORS MERCK PATENT GMBH (DE) 2004-08-25 EP disclosed
US-20040063644-A1 Urea and urethane derivatives as integrin inhibitors MERCK PATENT GMBH (DE) 2004-04-01 US disclosed
CN-1093122-C Piperazine derivatives as 5-HT1A antagonists WYETH JOHN & BROTHER LTD (GB) 2002-10-23 CN disclosed
EP-0763024-B1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF PIPERAZINE DERIVATIVES WYETH JOHN & BROTHER LTD (GB) 2002-08-14 EP disclosed
US-6395902-B1 NOVEL INTERMEDIATES IN THE PREPARATION OF PHARMACEUTICALLY USEFUL PYRIDINE DERIVATIVES AS END COMPOUNDS JOHN WYETH & BROTHER LIMITED (GB) 2002-05-28 US disclosed
US-6175012-B1 REACTING 4-METHYL-3-(2-PYRIDYL)-(1,2,3,)OXATHIAZOLIDINE-2,2-DIOXIDE, FOR EXAMPLE WITH A 1-(ARYL OR HETEROARYL)PIPERAZINE TO FORM A 1-(HETERO)ARYL-4-(HETEROARYLAMINOALKYL)PIPERAZINE; INTERMEDIATE TO 5-HT1A ANTAGONIST DRUGS JOHN WYETH & BROTHER LTD. (GB) 2001-01-16 US disclosed
EP-0763031-B1 PIPERAZINE DERIVATIVES AS 5HT1A ANTAGONISTS WYETH JOHN & BROTHER LTD (GB) 2000-05-10 EP disclosed
CN-1048985-C As 5-HT1APiperazine derivatives of antagonists WYETH JOHN & BROTHER LTD (GB) 2000-02-02 CN disclosed
CN-1227841-A Piperazine derivatives as 5-HT1A antagonists WYETH JOHN & BROTHER LTD (GB) 1999-09-08 CN disclosed
US-5723464-A CENTRAL NERVOUS SYSTEM DISORDERS, ANXIETY OR DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 1998-03-03 US disclosed
CN-1149873-A As 5-HT1APiperazine derivatives of antagonists WYETH JOHN & BROTHER LTD (GB) 1997-05-14 CN disclosed
EP-0763031-A1 PIPERAZINE DERIVATIVES AS 5HT1A ANTAGONISTS JOHN WYETH & BROTHER LIMITED (GB) 1997-03-19 EP disclosed
EP-0763024-A1 NOVEL PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF PIPERAZINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1997-03-19 EP disclosed
WO-1995033725-A1 NOVEL PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF PIPERAZINE DERIVATIVES JOHN WYETH & BROTHER LIMITED (GB) 1995-12-14 WO disclosed
WO-1995033743-A1 PIPERAZINE DERIVATIVES AS 5HT1A ANTAGONISTS JOHN WYETH & BROTHER LIMITED (GB) 1995-12-14 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 (1 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-20040063644-A1 Urea and urethane derivatives as integrin inhibitors ITGB1, ITGB2, ITGA1 FDPS 4347/4885KDM4E 1624/4885HTT 4804/4885

“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.