SCHEMBL2116019

SCHEMBL2116019

CC(=O)N1CCN(c2nc3c(C)c(F)ccc3cc2CN)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.46
NCF1 P14598 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
OPRK1 P41145 6/20 0.37
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
CNR2 P34972 2/20 0.36
ALDH1A1 P00352 1/20 0.36
NPY5R Q15761 1/20 0.36
CASP6 P55212 1/20 0.36
GFER P55789 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
SCHEMBL845135 0.83 OPRK1 (0.38) PIK3CDHRH4OPRK1ALDH1A1
SCHEMBL2113711 0.81 OPRK1 (0.38) PIK3CDNCF1ABCG2HRH4OPRK1
SCHEMBL2113713 0.81 OPRK1 (0.38) PIK3CDNCF1ABCG2HRH4OPRK1
SCHEMBL14481792 0.77 OPRK1 (0.39) PIK3CDNCF1ABCG2OPRK1CNR2
SCHEMBL2115419 0.76 PIK3CD (0.44) PIK3CDABCG2DPP4CNR2ALDH1A1
SCHEMBL2113761 0.76 PIK3CD (0.43) PIK3CDABCG2OPRK1CNR2GFER
SCHEMBL2117490 0.72 OPRK1 (0.38) HRH4OPRK1ALDH1A1
SCHEMBL2117487 0.72 OPRK1 (0.38) HRH4OPRK1ALDH1A1
SCHEMBL14481093 0.72 HPGD (0.39) OPRK1
SCHEMBL14481092 0.72 HPGD (0.39) 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 1 patent. 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 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 PIK3CD 6/4885NCF1 2116/4885ABCG2 2592/4885

“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.