SCHEMBL4153614

SCHEMBL4153614

CCN(CC)C(=O)CNC(=O)c1ccc2[nH]nc(/C=C/c3ccc(F)cc3)c2c1OC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
HPGD P15428 1/20 0.33
DRD3 P35462 2/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
KCNA3 P22001 1/20 0.33
MAPT P10636 1/20 0.32
MCHR1 Q99705 1/20 0.32
KDR P35968 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CHEK1 O14757 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
NR3C1 P04150 1/20 0.31

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
SCHEMBL4153624 1.00 MAOA (0.38) MAOAMAOBHPGDDRD3DRD2
SCHEMBL5031119 0.92 MAOA (0.39) MAOAMAOBDRD3DRD2DRD4
SCHEMBL4144221 0.91 MAOA (0.35) MAOAMAOBDRD3DRD2DRD4
SCHEMBL4144231 0.91 MAOA (0.35) MAOAMAOBDRD3DRD2DRD4
SCHEMBL13927848 0.88 DRD3 (0.35) DRD3DRD2DRD4KCNA3MAPT
SCHEMBL4139682 0.88 DRD3 (0.35) DRD3DRD2DRD4KCNA3MAPT
SCHEMBL5029998 0.88 OPRK1 (0.34) MAOAMAOBDRD3DRD2DRD4
SCHEMBL4145998 0.88 KDM4E (0.37) DRD3DRD2DRD4KCNA3MAPT
SCHEMBL4145975 0.88 KDM4E (0.37) DRD3DRD2DRD4KCNA3MAPT
SCHEMBL4148210 0.87 CHEK1 (0.35) DRD3DRD2DRD4KCNA3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B MAOA 2221/4885MAOB 1861/4885HPGD 1849/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MAOA 2624/4885MAOB 2177/4885HPGD 2100/4885

“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.