SCHEMBL2116484

SCHEMBL2116484

CNC(=O)C1CCN(c2nc3c(C)c(F)ccc3cc2[C@H](C)Nc2ccnc3ccnn23)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 9/20 0.38
RXFP1 Q9HBX9 1/20 0.37
PDE10A Q9Y233 1/20 0.34
KMT2A Q03164 1/20 0.34
MALT1 Q9UDY8 2/20 0.33
GPR6 P46095 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PIK3CA P42336 1/20 0.33
PRKD1 Q15139 1/20 0.33

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
SCHEMBL2115728 0.92 OPRK1 (0.38) OPRK1GPR6NPSR1
SCHEMBL2113719 0.92 CCNT1 (0.38) OPRK1PRKD1
SCHEMBL2115676 0.88 OPRK1 (0.37) OPRK1
SCHEMBL2113546 0.88 KCNH2 (0.37) OPRK1
SCHEMBL2113549 0.88 KCNH2 (0.37) OPRK1
SCHEMBL2115362 0.88 OPRK1 (0.34) OPRK1KMT2APIK3CA
SCHEMBL2115344 0.86 OPRK1 (0.38) OPRK1
SCHEMBL2115342 0.86 OPRK1 (0.38) OPRK1
SCHEMBL2114304 0.86 MALT1 (0.39) RXFP1PDE10AMALT1NPSR1PIK3CA
SCHEMBL2114702 0.86 P2RX3 (0.38) OPRK1

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-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 US claimed
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors UCB PHARMA S.A. (BE) 2012-04-19 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-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA OPRK1 305/4885RXFP1 4075/4885PDE10A 1182/4885

“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.