SCHEMBL355855

SCHEMBL355855

O=C(CCNC(=O)C1CCN(C(=O)OCc2ccc(Cl)cc2)CC1)Nc1ccc2[nH]nnc2c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 14/20 0.47
GAA P10253 3/20 0.41
KDM4C Q9H3R0 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 2/20 0.41
ATXN2 Q99700 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL13155185 0.89 GRM5 (0.42) ENPP2GAAKDM4CKMT2AATXN2
SCHEMBL357694 0.89 ENPP2 (0.42) ENPP2GAAKMT2AATXN2POLB
SCHEMBL355128 0.84 ENPP2 (0.49) ENPP2
SCHEMBL16239992 0.83 PKM (0.42) GAAKDM4CKMT2A
SCHEMBL355921 0.83 CACNA1G (0.52) ENPP2HTTKMT2ASMN1; SMN2
SCHEMBL118794 0.79 ENPP2 (0.46) ENPP2
SCHEMBL10102959 0.78 ENPP2 (0.49) ENPP2
SCHEMBL2809050 0.77 ENPP2 (0.43) ENPP2KMT2AATXN2RAB9ASMN1; SMN2
SCHEMBL117385 0.74 KDM4E (0.43) ENPP2HTTKMT2AATXN2NPC1
SCHEMBL16252472 0.74 ENPP2 (0.50) ENPP2ATXN2

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 8 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

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 ENPP2 1/4885GAA 966/4885KDM4C 2863/4885

“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.