SCHEMBL16805014

SCHEMBL16805014

Cc1cc(COC(C)(C)C)no1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
HCAR2 Q8TDS4 1/20 0.36
TLR7 Q9NYK1 1/20 0.35
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
ACACB O00763 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
NOS1 P29475 1/20 0.33
NMT1 P30419 1/20 0.33
EPHX2 P34913 1/20 0.33
GABRA5 P31644 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GRM4 Q14833 1/20 0.32
ALOX5AP P20292 1/20 0.32

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
SCHEMBL3435466 0.85 MAPT (0.40) CNR2MAPTRECQLHCAR2TLR7
SCHEMBL10202812 0.82 CNR2 (0.36) CNR2MAPTRECQLHCAR2TLR7
SCHEMBL4882325 0.81 CNR2 (0.39) CNR2MAPTRECQLHCAR2TLR7
SCHEMBL10263310 0.79 HCAR2 (0.36) CNR2MAPTRECQLHCAR2TLR7
SCHEMBL722294 0.78
SCHEMBL722293 0.76
SCHEMBL1715595 0.76
SCHEMBL9971015 0.74 NPC1 (0.40) CNR2MAPTRECQLHCAR2CYP2D6
Hydrochloric Acid SCHEMBL3170086 0.74 MAPT (0.39) CNR2MAPTRECQLHCAR2TLR7
SCHEMBL1912676 0.74 MAPT (0.41) CNR2MAPTRECQLTRPM8EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES Grünenthal GmbH (DE) 2015-06-18 US 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-20150166505-A1 PYRIDINYL-SUBSTITUTED PYRAZOLYL CARBOXAMIDES AADAC, NLRP3, NOD2 CNR2 56/4885MAPT 3201/4885RECQL 2487/4885

“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.