SCHEMBL4152746

SCHEMBL4152746

COc1c(C(=O)NC2CC2)ccc2[nH]nc(C=Cc3ccc(F)cc3)c12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.47
CNR1 P21554 7/20 0.43
CNR2 P34972 7/20 0.43
DYRK1A Q13627 2/20 0.41
NTRK1 P04629 1/20 0.41
KMT2A Q03164 1/20 0.40
SLC6A12 P48065 1/20 0.40
LMNA P02545 1/20 0.39
CCR3 P51677 1/20 0.39
HPGD P15428 1/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL4152742 1.00 DRD3 (0.47) DRD3CNR1CNR2DYRK1ANTRK1
SCHEMBL4141120 0.96 DRD3 (0.46) DRD3CNR1CNR2DYRK1AKMT2A
SCHEMBL4145950 0.96 CNR1 (0.46) DRD3CNR1CNR2DYRK1AKMT2A
SCHEMBL4141124 0.96 DRD3 (0.46) DRD3CNR1CNR2DYRK1AKMT2A
SCHEMBL4145954 0.96 CNR1 (0.46) DRD3CNR1CNR2DYRK1AKMT2A
SCHEMBL6426406 0.95 DRD3 (0.44) DRD3CNR1CNR2DYRK1ANTRK1
SCHEMBL6425838 0.94 DRD3 (0.44) DRD3CNR1CNR2DYRK1ANTRK1
SCHEMBL4137449 0.91 CYP3A4 (0.40) DRD3CNR1CNR2SLC6A12
SCHEMBL4137445 0.91 CYP3A4 (0.40) DRD3CNR1CNR2SLC6A12
SCHEMBL4144114 0.91 NPSR1 (0.44) DRD3CNR1CNR2KMT2ASLC6A12

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 5 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-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 DRD3 1139/4885CNR1 192/4885CNR2 190/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B DRD3 1224/4885CNR1 189/4885CNR2 191/4885

“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.