SCHEMBL5487271

SCHEMBL5487271

COC(=O)c1ncn(-c2cccc(Cl)c2)n1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.71
MAPT P10636 9/20 0.55
POLB P06746 3/20 0.55
SMN1; SMN2 Q16637 4/20 0.49
TP53 P04637 5/20 0.48
ALDH1A1 P00352 2/20 0.46
MGLL Q99685 2/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 1/20 0.45
BRCA1 P38398 1/20 0.45
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL21724983 0.85 NOTUM (0.70) NOTUMMAPTPOLBSMN1; SMN2TP53
SCHEMBL22366278 0.85 HTT (0.54) NOTUMMAPTPOLBSMN1; SMN2TP53
SCHEMBL28598509 0.85 NOTUM (0.62) NOTUMMAPTPOLBSMN1; SMN2TP53
SCHEMBL13754833 0.84 NOTUM (0.61) NOTUMMAPTPOLBSMN1; SMN2TP53
SCHEMBL21792048 0.83 NOTUM (1.00) NOTUMMAPTPOLBSMN1; SMN2TP53
SCHEMBL15019823 0.82 MAPT (0.50) NOTUMMAPTPOLBSMN1; SMN2TP53
SCHEMBL20594696 0.82 NOTUM (0.58) NOTUMMAPTPOLBSMN1; SMN2TP53
SCHEMBL30309900 0.82 NOTUM (0.58) NOTUMMAPTPOLBSMN1; SMN2TP53
SCHEMBL17188121 0.79 NOTUM (0.77) NOTUMMAPTPOLBSMN1; SMN2TP53
Alcohol SCHEMBL5711709 0.78 NOTUM (0.46) NOTUMMAPTPOLBSMN1; SMN2TP53

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856179-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-05-13 EP disclosed
US-20240327410-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2024-10-03 US disclosed
CN-113164458-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-13 CN disclosed
US-11993601-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV 2024-05-28 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-11597728-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-03-07 US disclosed
US-20220315583-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-06 US disclosed
EP-3856179-A1 MONOACYLGLYCEROL LIPASE MODULATORS Janssen Pharmaceutica N.V. (BE) 2021-08-04 EP disclosed
CN-113164458-A Monoacylglycerol lipase modulators 詹森药业有限公司 2021-07-23 CN disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
US-8883789-B2 Piperazine derivatives and their use as positive allosteric modulators of mGluR5 receptors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-11 US disclosed
EP-2791130-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS Boehringer Ingelheim International GmbH (DE) 2014-10-22 EP disclosed
WO-2013087805-A1 PIPERAZINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLU5 RECEPTORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 WO disclosed
US-20130158042-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130158042-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130158042-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20070185178-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists AATRAZENECA AB (SE) 2007-08-09 US disclosed
EP-1720860-A1 TRIAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-15 EP disclosed
US-20060019997-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-26 US disclosed
WO-2005080379-A1 TRIAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (US) 2005-09-01 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 (9 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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP NOTUM 824/4885MAPT 2188/4885POLB 2574/4885
US-20060019997-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRIN3A, GRM1 NOTUM 4056/4885MAPT 1892/4885POLB 3748/4885
US-20070185178-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRM3, GRIK5 NOTUM 4132/4885MAPT 1517/4885POLB 3706/4885
US-11993601-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP NOTUM 824/4885MAPT 2188/4885POLB 2574/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP NOTUM 824/4885MAPT 2188/4885POLB 2574/4885
US-11597728-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP NOTUM 824/4885MAPT 2188/4885POLB 2574/4885
US-20130158042-A1 NOVEL COMPOUNDS GRM5, GRIK5, GRM1 NOTUM 2519/4885MAPT 270/4885POLB 4052/4885
US-20240327410-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP NOTUM 824/4885MAPT 2188/4885POLB 2574/4885
US-20220315583-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP NOTUM 824/4885MAPT 2188/4885POLB 2574/4885

“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.