SCHEMBL4781650

SCHEMBL4781650

CC(C)(C)OC(=O)N1CCC/C(=C(\F)CN2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
MAPK1 P28482 1/20 0.41
PDK4 Q16654 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
DTYMK P23919 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ESR2 Q92731 1/20 0.39
BRD4 O60885 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
HTT P42858 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
SCHEMBL4781657 1.00 HSD17B10 (0.42) HSD17B10MAPK1PDK4KMT2AMEN1
SCHEMBL14281799 0.93 PDK4 (0.38) HSD17B10MAPK1PDK4KMT2AMEN1
SCHEMBL3808236 0.93 PDK4 (0.42) HSD17B10PDK4KMT2AMEN1ALDH1A1
SCHEMBL3808232 0.93 PDK4 (0.42) HSD17B10PDK4KMT2AMEN1ALDH1A1
SCHEMBL3808231 0.93 PDK4 (0.42) HSD17B10PDK4KMT2AMEN1ALDH1A1
SCHEMBL13315631 0.89 HSD17B10 (0.42) HSD17B10MAPK1PDK4KMT2AMEN1
SCHEMBL13315635 0.89 HSD17B10 (0.42) HSD17B10MAPK1PDK4KMT2AMEN1
SCHEMBL13349268 0.88 HSD17B10 (0.42) HSD17B10MAPK1PDK4KMT2AMEN1
SCHEMBL13349273 0.88 HSD17B10 (0.42) HSD17B10MAPK1PDK4KMT2AMEN1
SCHEMBL3808016 0.85 SMN1; SMN2 (0.42) HSD17B10MAPK1PDK4KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760832-B1 IMPROVED PROCESS FOR PREPARING 2-[(2E)-2-FLUORO-2-(3-PIPERIDINYLIDENE)ETHYL]-1H-ISOINDOLE-1,3(2H)-DIONE JANSSEN PHARMACEUTICA NV (BE) 2015-07-22 EP disclosed
US-20150141652-A1 PROCESS FOR PREPARING 2-[(2E)-2-FLUORO-2-(3-PIPERIDINYLIDENE)ETHYL]-1H-ISOINDOLE-1,3(2H)-DIONE JANSSEN PHARMACEUTICA NV (BE) 2015-05-21 US disclosed
US-20150141652-A1 PROCESS FOR PREPARING 2-[(2E)-2-FLUORO-2-(3-PIPERIDINYLIDENE)ETHYL]-1H-ISOINDOLE-1,3(2H)-DIONE JANSSEN PHARMACEUTICA NV (BE) 2015-05-21 US disclosed
WO-2013045599-A1 IMPROVED PROCESS FOR PREPARING 2-[(2E)-2-FLUORO-2-(3-PIPERIDINYLIDENE)ETHYL]-1H-ISOINDOLE-1,3(2H)-DIONE JANSSEN PHARMACEUTICA NV (BE) 2013-04-04 WO disclosed
US-7732612-B2 7-amino alkylidenyl-heterocyclic quinolones and naphthyridones JANSSEN PHARMACEUTICA, N.V. (BE) 2010-06-08 US disclosed
WO-2010056633-A2 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2010-05-20 WO disclosed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US disclosed
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US disclosed
US-20080009628-A1 One-Pot Condensation-Reduction Methods for Preparing Substituted Allylic Alcohols JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-10 US disclosed
WO-2008005670-A2 ONE-POT CONDENSATION REDUCTION METHODS FOR PREPARING SUBSTITUTED ALLYLIC ALCOHOLS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-10 WO disclosed
WO-2008005670-A2 ONE-POT CONDENSATION REDUCTION METHODS FOR PREPARING SUBSTITUTED ALLYLIC ALCOHOLS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-10 WO disclosed
US-20080009628-A1 One-Pot Condensation-Reduction Methods for Preparing Substituted Allylic Alcohols JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-10 US disclosed
US-20080009628-A1 One-Pot Condensation-Reduction Methods for Preparing Substituted Allylic Alcohols JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-10 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 (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-20080009628-A1 One-Pot Condensation-Reduction Methods for Preparing Substituted Allylic Alcohols ADH1A, ADH1C, TALDO1 HSD17B10 302/4885MAPK1 4221/4885PDK4 1627/4885
US-20090156577-A1 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES NQO2, QRFPR, NQO1 HSD17B10 3088/4885MAPK1 2916/4885PDK4 2423/4885
US-20150141652-A1 PROCESS FOR PREPARING 2-[(2E)-2-FLUORO-2-(3-PIPERIDINYLIDENE)ETHYL]-1H-ISOINDOLE-1,3(2H)-DIONE DHPS, AZI2, QDPR HSD17B10 3062/4885MAPK1 374/4885PDK4 1147/4885

“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.