SCHEMBL2113711

SCHEMBL2113711

CC(=O)N1CCN(c2nc3c(C)c(F)ccc3cc2[C@H](C)N)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 5/20 0.38
PIK3CD O00329 2/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
NCF1 P14598 2/20 0.36
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
CNR2 P34972 2/20 0.36
NPY5R Q15761 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MC4R P32245 1/20 0.35
CASP6 P55212 1/20 0.35
GFER P55789 1/20 0.35

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
SCHEMBL2113713 1.00 OPRK1 (0.38) OPRK1PIK3CDABCG2HRH4NCF1
SCHEMBL2117487 0.91 OPRK1 (0.38) OPRK1HRH4ALDH1A1MC4R
SCHEMBL2117490 0.91 OPRK1 (0.38) OPRK1HRH4ALDH1A1MC4R
SCHEMBL14481093 0.89 HPGD (0.39) OPRK1MC4R
SCHEMBL14481494 0.89 TP53 (0.44) OPRK1HRH4CNR2ALDH1A1MC4R
SCHEMBL14481092 0.89 HPGD (0.39) OPRK1MC4R
SCHEMBL14481493 0.89 TP53 (0.44) OPRK1HRH4CNR2ALDH1A1MC4R
Hydrochloric Acid SCHEMBL2113716 0.88 TP53 (0.44) OPRK1HRH4CNR2ALDH1A1MC4R
Hydrochloric Acid SCHEMBL715476 0.88 TP53 (0.44) OPRK1HRH4CNR2ALDH1A1MC4R
SCHEMBL14481792 0.86 OPRK1 (0.39) OPRK1PIK3CDABCG2NCF1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499129-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2014-07-30 EP disclosed
US-8653105-B2 Quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2014-02-18 US disclosed
US-8637543-B2 Quinoline derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2014-01-28 US disclosed
EP-2499144-B1 QUINOLINE AND QUINOXALINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2013-10-23 EP disclosed
US-20130018057-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2013-01-17 US disclosed
US-20130012517-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2013-01-10 US disclosed
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 (3 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-20130018057-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors PDXK, CDK3, MAP3K13 OPRK1 286/4885PIK3CD 193/4885ABCG2 1598/4885
US-20120095005-A1 Fused Bicyclic Pyrazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, PIK3CA OPRK1 305/4885PIK3CD 6/4885ABCG2 2592/4885
US-20130012517-A1 Quinoline and Quinoxaline Derivatives as Kinase Inhibitors PDXK, MAP2K2, PDPK1 OPRK1 161/4885PIK3CD 13/4885ABCG2 1273/4885

“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.