SCHEMBL4923366

SCHEMBL4923366

COC1CCN(C(=O)c2cc(-c3cccn3C)n(-c3cccnc3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.41
GPR119 Q8TDV5 1/20 0.39
SPR P35270 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
PTGS1 P23219 1/20 0.37
EPHX2 P34913 1/20 0.37
PTGS2 P35354 1/20 0.37
MARS1 P56192 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NTRK1 P04629 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL4932850 0.85 MGLL (0.44) MGLLGPR119PTGS1EPHX2PTGS2
SCHEMBL4932636 0.85 MGLL (0.53) MGLLHTTPTGS2
SCHEMBL4924326 0.83 MGLL (0.41) MGLLGPR119SPRPTGS1EPHX2
SCHEMBL4927600 0.82 CCKAR (0.42) MGLLGPR119PTGS1EPHX2PTGS2
SCHEMBL4931030 0.81 MGLL (0.45) MGLLGPR119SPRMARS1NTRK1
SCHEMBL4932757 0.80 KDM1A (0.44)
SCHEMBL4931318 0.80 PARP1 (0.43) MGLLGPR119ALDH1A1HTTPTGS1
SCHEMBL4927785 0.79 MARS1 (0.54) ALDH1A1MARS1
SCHEMBL4927203 0.75 KMT2A (0.55) ALDH1A1NPC1RAB9A
SCHEMBL2911840 0.74 MGLL (0.48) MGLLALDH1A1PTGS2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 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 (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-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 MGLL 4785/4885GPR119 1933/4885SPR 2914/4885

“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.