SCHEMBL356847

SCHEMBL356847

O=C(NCCN1CCN(C(=O)OCc2ccc(Cl)cc2)CC1)c1ccc2[nH]cnc2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
ENPP2 Q13822 4/20 0.51
POLB P06746 1/20 0.48
ATXN2 Q99700 1/20 0.45
DRD4 P21917 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CACNA1G O43497 4/20 0.44
HTR3A P46098 3/20 0.44
BACE1 P56817 1/20 0.43
HTR1A P08908 2/20 0.43
KCNH2 Q12809 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CD274 Q9NZQ7 1/20 0.43

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
Hydrochloric Acid SCHEMBL357714 0.99 L3MBTL1 (0.51) L3MBTL1ENPP2POLBATXN2DRD4
SCHEMBL356383 0.87 ENPP2 (0.49) ENPP2ATXN2DRD4ALDH1A1CACNA1G
SCHEMBL16240465 0.81 KMT2A (0.47) L3MBTL1POLBALDH1A1HTR1A
SCHEMBL354967 0.80 ENPP2 (0.58) ENPP2ATXN2KCNH2
SCHEMBL13373331 0.78 PARP1 (0.57) L3MBTL1ALDH1A1CACNA1GHTR3A
SCHEMBL3101925 0.77 L3MBTL1 (0.83) L3MBTL1POLB
SCHEMBL2350430 0.76 POLB (0.60) POLBALDH1A1HTR1AKCNH2MAOA
SCHEMBL30265334 0.76 POLB (0.60) POLBALDH1A1HTR1AKCNH2MAOA
SCHEMBL355797 0.76 ENPP2 (0.49) ENPP2ATXN2KCNH2CD274
SCHEMBL5370687 0.76 TPSAB1 (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414327-B1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2014-11-19 EP claimed
US-8841324-B2 Heterocyclic compounds as autotaxin inhibitors MERCK PATENT GMBH (DE) 2014-09-23 US claimed
US-20120015959-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-01-19 US claimed
EP-2414327-B1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2014-11-19 EP disclosed
US-8841324-B2 Heterocyclic compounds as autotaxin inhibitors MERCK PATENT GMBH (DE) 2014-09-23 US disclosed
US-8841324-B2 Heterocyclic compounds as autotaxin inhibitors MERCK PATENT GMBH (DE) 2014-09-23 US disclosed
US-20120015959-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-01-19 US disclosed
US-20120015959-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-01-19 US disclosed
WO-2010112116-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS MERCK PATENT GMBH (DE) 2010-10-07 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 (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-20120015959-A1 HETEROCYCLIC COMPOUNDS AS AUTOTAXIN INHIBITORS ENPP2, HAX1, MTX1 L3MBTL1 2475/4885ENPP2 1/4885POLB 4069/4885

“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.