SCHEMBL4157519

SCHEMBL4157519

COc1c(C(=O)OCC2CC2)ccc2c1c(C=Cc1ccc3c(c1)CCO3)nn2C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 2/20 0.35
HTR4 Q13639 4/20 0.33
NPC1 O15118 1/20 0.32
CLK1 P49759 1/20 0.32
RAB9A P51151 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
CHRM5 P08912 3/20 0.30
CHRM1 P11229 3/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM3 P20309 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
ERN1 O75460 1/20 0.30
CCR2 P41597 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
SCHEMBL4155857 0.86 PDE4B (0.38) HTR4
SCHEMBL4135795 0.85 HTR4 (0.35) HTR4CHRM3CCR2
SCHEMBL4139105 0.85 GAA (0.35) GPR183HTR4NPC1RAB9A
SCHEMBL4136502 0.84 HTR4 (0.33) HTR4
SCHEMBL4152330 0.84 TUBB1 (0.40) HTR4
SCHEMBL4153493 0.84 HTR4 (0.35) HTR4NPC1
SCHEMBL4153964 0.78 RAB9A (0.34) HTR4NPC1RAB9ACHRM3
SCHEMBL4139785 0.77 JMJD6 (0.32) HTR4
SCHEMBL4144664 0.74 DRD2 (0.33)
SCHEMBL4139883 0.74 NPC1 (0.40) GPR183NPC1CLK1RAB9ACHRM5

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 GPR183 1326/4885HTR4 2339/4885NPC1 3183/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B GPR183 1117/4885HTR4 2773/4885NPC1 3703/4885

“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.