SCHEMBL4135795

SCHEMBL4135795

COc1c(C(=O)OCC2CC2)ccc2c1c(C=Cc1ccc(F)c(F)c1)nn2C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.35
CHRM3 P20309 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
PDE4B Q07343 3/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
MCL1 Q07820 1/20 0.31
ACHE P22303 1/20 0.31
JMJD6 Q6NYC1 1/20 0.30
CCR2 P41597 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
HTR1D P28221 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
HTR2B P41595 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30

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
SCHEMBL4153493 0.94 HTR4 (0.35) HTR4TUBB1PDE4BDRD2DRD4
SCHEMBL4152330 0.94 TUBB1 (0.40) HTR4TUBB1PDE4BDRD2DRD4
SCHEMBL4136502 0.91 HTR4 (0.33) HTR4DRD2DRD4ACHE
SCHEMBL4155857 0.90 PDE4B (0.38) HTR4PDE4BDRD2DRD4PDE4A
SCHEMBL4139105 0.88 GAA (0.35) HTR4DRD2DRD4
SCHEMBL4153964 0.86 RAB9A (0.34) HTR4CHRM3JMJD6
SCHEMBL4157519 0.85 GPR183 (0.35) HTR4CHRM3CCR2
SCHEMBL4139785 0.80 JMJD6 (0.32) HTR4JMJD6PDE4D
SCHEMBL4148222 0.78 CTSL (0.32)
SCHEMBL4139709 0.77 ATM (0.40)

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 HTR4 2339/4885CHRM3 724/4885TUBB1 1495/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B HTR4 2773/4885CHRM3 902/4885TUBB1 1202/4885

“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.