SCHEMBL355872

SCHEMBL355872

O=C(Cc1ccc2[nH]nnc2c1)N1CCN(C(=O)OCc2ccc(Cl)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.46
ATXN2 Q99700 3/20 0.46
RHEB Q15382 1/20 0.43
ME2 P23368 1/20 0.42
ME1 P48163 1/20 0.42
ME3 Q16798 1/20 0.42
KMT2A Q03164 6/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.41
ATM Q13315 1/20 0.41
OPRK1 P41145 1/20 0.41
ECE2 P0DPD6 1/20 0.39
GPR183 P32249 1/20 0.39
CYP2C9 P11712 1/20 0.39
KCNH2 Q12809 1/20 0.38

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
SCHEMBL10102951 0.92 ENPP2 (0.46) ENPP2ATXN2RHEBME2ME1
SCHEMBL358101 0.86 POLB (0.50) ME2ME1ME3KMT2AMEN1
SCHEMBL118301 0.81 ENPP2 (0.53) ENPP2ATXN2
SCHEMBL356383 0.80 ENPP2 (0.49) ENPP2ATXN2ALDH1A1CYP1A2CYP3A4
SCHEMBL118732 0.79 ENPP2 (0.41) ENPP2ATXN2KMT2AMEN1KCNH2
SCHEMBL15551971 0.78 ATXN2 (0.77) ENPP2ATXN2
SCHEMBL355921 0.78 CACNA1G (0.52) ENPP2KMT2AMEN1ALDH1A1KCNH2
SCHEMBL357694 0.78 ENPP2 (0.42) ENPP2ATXN2KMT2AMEN1ALDH1A1
SCHEMBL355128 0.76 ENPP2 (0.49) ENPP2KCNH2
SCHEMBL117385 0.76 KDM4E (0.43) ENPP2ATXN2KMT2AMEN1ALDH1A1

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 3 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 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 1/4885ATXN2 924/4885RHEB 1565/4885

“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.