SCHEMBL892519

SCHEMBL892519

CCOC(=O)c1cc(C2CCCC2)on1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.53
S1PR3 Q99500 9/20 0.52
TSHR P16473 2/20 0.52
HCRTR2 O43614 1/20 0.50
PSMB8 P28062 1/20 0.50
PSMB9 P28065 1/20 0.50
PSMB5 P28074 1/20 0.50
S1PR1 P21453 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
SMYD3 Q9H7B4 1/20 0.44

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
SCHEMBL891991 0.99 S1PR3 (0.55) HSD17B10S1PR3TSHRHCRTR2PSMB8
SCHEMBL892257 0.94 TSHR (0.57) HSD17B10S1PR3TSHRHCRTR2S1PR1
SCHEMBL27006476 0.89 TSHR (0.50) HSD17B10S1PR3TSHRHCRTR2S1PR1
SCHEMBL19599249 0.89 HCRTR2 (0.53) HSD17B10S1PR3TSHRHCRTR2S1PR1
SCHEMBL31706300 0.87 SMYD3 (0.53) HSD17B10TSHRHCRTR2NPC1RAB9A
SCHEMBL31227843 0.87 SMYD3 (0.53) HSD17B10TSHRHCRTR2NPC1RAB9A
Hydrochloric Acid SCHEMBL31227420 0.86 SMYD3 (0.54) HSD17B10TSHRHCRTR2NPC1RAB9A
SCHEMBL21523828 0.85 HCRTR2 (0.50) HSD17B10TSHRHCRTR2NPC1RAB9A
SCHEMBL31644514 0.83 HCRTR2 (0.47) HSD17B10S1PR3TSHRHCRTR2S1PR1
SCHEMBL17725866 0.82 HCRTR2 (0.46) HSD17B10S1PR3TSHRHCRTR2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3190109-B1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIV LEUVEN KATH (BE) 2020-02-19 EP disclosed
US-20190054068-A1 Indole Amide Derivatives and Related Compounds for Use in the Treatment of Neurodegenerative Diseases REMYND (BE) 2019-02-21 US disclosed
US-10117850-B2 Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2018-11-06 US disclosed
EP-3190109-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Katholieke Universiteit Leuven (BE) 2017-07-12 EP disclosed
EP-2440550-B1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIV LEUVEN KATH (BE) 2017-03-15 EP disclosed
US-20160324828-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2016-11-10 US disclosed
US-9434722-B2 Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2016-09-06 US disclosed
US-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 US disclosed
US-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE SUNOVION PHARMACEUTICALS INC (US) 2016-03-24 US disclosed
US-20140066457-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND (BE) 2014-03-06 US disclosed
US-8618138-B2 Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2013-12-31 US disclosed
EP-2440550-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-04-18 EP disclosed
US-20120083475-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-04-05 US disclosed
WO-2010142801-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2010-12-16 WO disclosed
US-20100048545-A1 Compounds and Compositions for Use in the Prevention and Treatment of Disorders of Fat Metabolism and Obesity INNODIA INC. (CA) 2010-02-25 US disclosed
EP-1858840-A2 ANALOGS OF 4-HYDROXYISOLEUCINE AND USES THEREOF Innodia Inc. (CA) 2007-11-28 EP disclosed
WO-2006120574-A2 ANALOGS OF 4-HYDROXYISOLEUCINE AND USES THEREOF INNODIA INC. (CA) 2006-11-16 WO disclosed
US-20060223884-A1 Compounds and compositions for use in the prevention and treatment of obesity and related syndromes INVESTISSEMENT QUEBEC (CA) 2006-10-05 US disclosed
US-20060199853-A1 Analogs of 4-hydroxyisoleucine and uses thereof UNIVERSITE LOUIS PASTEUR STRASBOURG I (FR) 2006-09-07 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 (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-20120083475-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, NLN HSD17B10 2592/4885S1PR3 2093/4885TSHR 4264/4885
US-20060223884-A1 Compounds and compositions for use in the prevention and treatment of obesity and related syndromes GPR119, HSD3B1, PC HSD17B10 56/4885S1PR3 1776/4885TSHR 3808/4885
US-20140066457-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, NLN HSD17B10 2603/4885S1PR3 2060/4885TSHR 4280/4885
US-20160324828-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, NLN HSD17B10 2603/4885S1PR3 2060/4885TSHR 4280/4885
US-20060199853-A1 Analogs of 4-hydroxyisoleucine and uses thereof GPR119, SLC2A1, SLC5A1 HSD17B10 251/4885S1PR3 2227/4885TSHR 2904/4885
US-20190054068-A1 Indole Amide Derivatives and Related Compounds for Use in the Treatment of Neurodegenerative Diseases SNCA, MAPT, NLN HSD17B10 2592/4885S1PR3 2093/4885TSHR 4264/4885
US-10117850-B2 Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases SNCA, MAPT, NLN HSD17B10 2603/4885S1PR3 2060/4885TSHR 4280/4885
US-20160083400-A1 TRICYCLIC GUANIDINE DERIVATIVE PDE3A, PDE2A, PDE5A HSD17B10 823/4885S1PR3 3045/4885TSHR 3945/4885
US-20100048545-A1 Compounds and Compositions for Use in the Prevention and Treatment of Disorders of Fat Metabolism and Obesity LIPC, PC, LIPE HSD17B10 35/4885S1PR3 2679/4885TSHR 3617/4885

“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.