SCHEMBL2497237

SCHEMBL2497237

COc1cc(CCO)ccn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.62
LOX P28300 2/20 0.62
FFAR1 O14842 1/20 0.43
CYP4F2 P78329 3/20 0.40
CYP4A11 Q02928 3/20 0.40
GSK3B P49841 3/20 0.39
GSK3A P49840 2/20 0.39
SLC13A5 Q86YT5 1/20 0.39
GRM2 Q14416 1/20 0.39
NR3C2 P08235 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX5 P09917 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
BACE1 P56817 1/20 0.38
ACACB O00763 1/20 0.36
CDK2 P24941 2/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36

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
SCHEMBL14861189 0.89 LOX (0.59) LOXL2LOXFFAR1CYP4F2CYP4A11
SCHEMBL17752 0.85 LOXL2 (0.67) LOXL2LOXFFAR1GSK3BSLC13A5
SCHEMBL29841247 0.85 LOXL2 (0.67) LOXL2LOXFFAR1GSK3BSLC13A5
SCHEMBL12093687 0.83 LOXL2 (0.65) LOXL2LOXFFAR1GSK3BGSK3A
SCHEMBL12093676 0.81 LOXL2 (0.62) LOXL2LOXFFAR1GSK3BGSK3A
SCHEMBL14486857 0.81 LOXL2 (0.62) LOXL2LOXFFAR1GSK3BGSK3A
SCHEMBL22336235 0.81 LOXL2 (0.68) LOXL2LOXFFAR1GSK3BGSK3A
SCHEMBL31583016 0.81 LOXL2 (0.62) LOXL2LOXFFAR1GSK3BGSK3A
SCHEMBL6218599 0.81 LOXL2 (0.73) LOXL2LOXFFAR1KDM4E
SCHEMBL2891302 0.81 ACACB (0.41) LOXL2LOXCYP4F2CYP4A11KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-05-11 US disclosed
US-9522914-B2 Azole derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-12-20 US disclosed
EP-2772482-B1 AZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2016-03-09 EP disclosed
WO-2016029454-A1 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS mGluR2-NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2016-03-03 WO disclosed
US-9023852-B2 1, 2, 4-thiadiazol-5-ylpiperazine derivatives useful in the treatment of neurodegenerative diseases REMYND NV (BE) 2015-05-05 US disclosed
EP-2726470-B1 1,2,4-THIADIAZOL-5-YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2015-04-29 EP disclosed
US-20140275006-A1 AZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-09-18 US disclosed
EP-2772482-A1 AZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2014-09-03 EP disclosed
CN-103889951-A Azole derivative TAISHO PHARMACEUTICAL CO LTD 2014-06-25 CN disclosed
US-20140128404-A1 1, 2, 4-Thiadiazol-5-Ylpiperazine derivatives useful in the treatment of neurodegenerative diseases REMYND NV (BE) 2014-05-08 US disclosed
EP-2726470-A1 1, 2, 4 -THIADIAZOL- 5 -YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT NEURODEGENERATIVE DISEASES reMynd NV (BE) 2014-05-07 EP disclosed
CN-103619825-A 1, 2, 4-thiadiazol-5-ylpiperazine derivatives useful in the treatment neurodegenerative diseases REMYND NV 2014-03-05 CN disclosed
WO-2013004642-A1 1, 2, 4 -THIADIAZOL- 5 -YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT NEURODEGENERATIVE DISEASES REMYND NV (BE) 2013-01-10 WO disclosed
US-8030300-B2 2-pyrrolidinyloxy-substituted pyridine; Alzheimer's disease, Parkinson's disease, dyskinesias, Tourette's syndrome, schizophrenia, attention deficit disorder, anxiety, pain, depression, obsessive compulsive disorder GEORGETOWN UNIVERSITY (US) 2011-10-04 US disclosed
US-20080132486-A1 Ligands for Nicotinic Acetylcholine Receptors, and Methods of Making and Using Them GEORGETOWN UNIVERSITY (US) 2008-06-05 US disclosed
WO-2005000806-A2 LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, AND METHODS OF MAKING AND USING THEM GEORGETOWN UNIVERSITY (US) 2005-01-06 WO disclosed
WO-2005000806-A2 LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTORS, AND METHODS OF MAKING AND USING THEM GEORGETOWN UNIVERSITY (US) 2005-01-06 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 (5 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-20080132486-A1 Ligands for Nicotinic Acetylcholine Receptors, and Methods of Making and Using Them CHRNA5, OPRL1, TAAR5 LOXL2 3275/4885LOX 3107/4885FFAR1 486/4885
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 LOXL2 2036/4885LOX 696/4885FFAR1 2000/4885
US-20140128404-A1 1, 2, 4-Thiadiazol-5-Ylpiperazine derivatives useful in the treatment of neurodegenerative diseases MAPT, PSEN1, PSEN2 LOXL2 4208/4885LOX 3590/4885FFAR1 4442/4885
US-20140275006-A1 AZOLE DERIVATIVE AVPR1B, AVPR1A, AVPR2 LOXL2 4427/4885LOX 4119/4885FFAR1 427/4885
US-11001575-B1 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 LOXL2 1458/4885LOX 501/4885FFAR1 1840/4885

“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.