SCHEMBL118352

SCHEMBL118352

CCOC(=O)c1cncc(N2CCNCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.57
CHRNA4 P43681 7/20 0.57
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
DPP4 P27487 1/20 0.52
DPP8 Q6V1X1 1/20 0.52
DPP9 Q86TI2 1/20 0.52
DPP7 Q9UHL4 1/20 0.52
CHRNA1 P02708 1/20 0.47
CHRNA7 P36544 1/20 0.47
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
AOC3 Q16853 1/20 0.44
ACVR1 Q04771 1/20 0.44

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
SCHEMBL20188020 0.90 CYP2C19 (0.60) CHRNB2CHRNA4CYP2C9CYP2C19DPP4
SCHEMBL20193319 0.86 CYP2C19 (0.56) CHRNB2CHRNA4CYP2C9CYP2C19DPP4
SCHEMBL31705336 0.85 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA1CHRNA7AOC3
SCHEMBL20604746 0.85 CHRNB2 (0.61) CHRNB2CHRNA4CHRNA1CHRNA7AOC3
Hydrochloric Acid SCHEMBL3338273 0.81 DPP4 (0.59) CHRNB2CHRNA4CYP2C9CYP2C19DPP4
SCHEMBL2306348 0.80 ALOX5 (0.58) CYP2C9CYP2C19
SCHEMBL3538352 0.80 CYP2C9 (0.51) CHRNB2CHRNA4CYP2C9CYP2C19DPP4
SCHEMBL3538355 0.80 CYP2C9 (0.51) CHRNB2CHRNA4CYP2C9CYP2C19DPP4
SCHEMBL62795 0.79 HPGD (0.56) ACVR1
SCHEMBL907923 0.79 P2RY12 (0.49) MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2479165-B1 GLYCINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-10-25 EP disclosed
US-9452997-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2016-09-27 US disclosed
US-9452997-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2016-09-27 US disclosed
US-20140343075-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2014-11-20 US disclosed
US-20140343075-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2014-11-20 US disclosed
US-8822476-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2014-09-02 US disclosed
US-8822476-B2 Piperidine and piperazine derivatives as autotaxin inhibitors MERCK PATENT GMBH (DE) 2014-09-02 US disclosed
US-8802679-B2 Glycine compound ASTELLAS PHARMA INC. (JP) 2014-08-12 US disclosed
US-8802679-B2 Glycine compound ASTELLAS PHARMA INC. (JP) 2014-08-12 US disclosed
EP-2623491-A2 Piperidine and piperazine derivatives as autotaxin inhibitors Merck Patent GmbH (DE) 2013-08-07 EP disclosed
US-20120184520-A1 GLYCINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 US disclosed
US-20120184520-A1 GLYCINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-07-19 US disclosed
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-08 US disclosed
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-08 US disclosed
WO-2011034078-A1 GLYCINE COMPOUND アステラス製薬株式会社 (JP) 2011-03-24 WO disclosed
WO-2010115491-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-14 WO 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-20120184520-A1 GLYCINE COMPOUND SLC5A1, AQP1, VAPB CHRNB2 4504/4885CHRNA4 4408/4885CYP2C9 4612/4885
US-20140343075-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E CHRNB2 4092/4885CHRNA4 3753/4885CYP2C9 4862/4885
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E CHRNB2 4092/4885CHRNA4 3753/4885CYP2C9 4862/4885

“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.