SCHEMBL5268570

SCHEMBL5268570

COC[C@@H]1CCCN1C(=O)c1cc(-c2ccccn2)n(-c2ccc(OC)nn2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.44
ADORA1 P30542 2/20 0.44
RAB9A P51151 4/20 0.41
NTRK1 P04629 2/20 0.40
CNR2 P34972 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
SCD5 Q86SK9 2/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ADRA1A P35348 1/20 0.37
AXL P30530 1/20 0.36
TRPC6 Q9Y210 1/20 0.36
SCD O00767 1/20 0.36
PLAT P00750 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
SCHEMBL5271916 0.92 NTRK1 (0.42) ADORA2AADORA1RAB9ANTRK1HCRTR1
SCHEMBL5270446 0.92 NTRK1 (0.42) ADORA2AADORA1RAB9ANTRK1HCRTR1
SCHEMBL5271842 0.88 HPGD (0.42) ADORA2AADORA1RAB9ANTRK1CNR2
SCHEMBL5272388 0.85 SCD5 (0.38) RAB9ANTRK1HCRTR1HCRTR2SCD5
SCHEMBL2915785 0.82 ADORA2A (0.42) ADORA2ARAB9ASCD5NPC1MEN1
SCHEMBL2915571 0.82 NTRK1 (0.44) RAB9ANTRK1HCRTR1HCRTR2SCD5
SCHEMBL14529239 0.81 NTRK1 (0.44) ADORA2AADORA1RAB9ANTRK1HCRTR1
SCHEMBL2918205 0.81 CYP2C9 (0.41) ADORA2ARAB9ASCD5NPC1MEN1
SCHEMBL5269213 0.81 GRM5 (0.35) RAB9ANTRK1HCRTR1HCRTR2SCD5
SCHEMBL2919146 0.81 SCD5 (0.40) NTRK1HCRTR1HCRTR2SCD5MEN1

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-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 ADORA2A 472/4885ADORA1 127/4885RAB9A 2864/4885

“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.