SCHEMBL18925720

SCHEMBL18925720

CC(C)(C)OCc1cnc(C2CC2)nc1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.36
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
OPRL1 P41146 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
NR3C1 P04150 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL16769998 0.79 PDE10A (0.35) GPR119HDAC1HDAC6HDAC5OPRL1
SCHEMBL18925748 0.75 FLT3 (0.32) HDAC1HDAC6HDAC5PDE10A
SCHEMBL18925719 0.75 LMNA (0.32)
SCHEMBL12523394 0.72 PDE8B (0.36) OPRL1PDE10A
SCHEMBL10578378 0.72 OPRL1 (0.36) OPRL1CNR2
SCHEMBL10578389 0.72 OPRL1 (0.36) OPRL1CNR2
SCHEMBL23916745 0.72 TUBB4A (0.36) HDAC1HDAC6HDAC5
SCHEMBL18925718 0.72
SCHEMBL10577779 0.71 OPRL1 (0.36) OPRL1
SCHEMBL10577784 0.71 OPRL1 (0.36) OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170158697-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2017-06-08 US disclosed
US-20170158697-A1 Protein Kinase Inhibitors PHARMASCIENCE INC. (CA) 2017-06-08 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-20170158697-A1 Protein Kinase Inhibitors TEC, LCK, SRC GPR119 3420/4885HDAC1 948/4885HDAC6 817/4885

“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.