SCHEMBL1970147

SCHEMBL1970147

Cc1nc(C(=O)O)c(Br)s1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GPR35 Q9HC97 3/20 0.37
HCAR2 Q8TDS4 3/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
COPS5 Q92905 1/20 0.32
NTRK1 P04629 1/20 0.32
RECQL P46063 1/20 0.32
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4618704 0.91 NPC1 (0.33) RAB9ANPC1SMN1; SMN2GPR35HCAR2
SCHEMBL4623137 0.83 ECE1 (0.42) RAB9AALDH1A1L3MBTL1MAPT
SCHEMBL3191539 0.81 L3MBTL1 (0.33) RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL30440870 0.79 ALDH1A1 (0.34) SMN1; SMN2GPR35ALDH1A1HPGDTSHR
SCHEMBL2829789 0.78 NPSR1 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL13263627 0.78 L3MBTL1 (0.37) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL2216614 0.77 SMN1; SMN2 (0.40) RAB9ANPC1SMN1; SMN2HCAR2ALDH1A1
SCHEMBL4883695 0.76 ALDH1A1 (0.45) RAB9ANPC1SMN1; SMN2HCAR2ALDH1A1
SCHEMBL3313992 0.75 ALDH1A1 (0.50) NPC1SMN1; SMN2ALDH1A1HPGDTSHR
SCHEMBL25400596 0.74 ALDH1A1 (0.44) RAB9ANPC1SMN1; SMN2HCAR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3676261-B1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LTD (GB) 2024-12-18 EP disclosed
CN-111315734-B Substituted 2-azabicyclo [3.1.1] heptane and 2-azabicyclo [3.2.1] octane derivatives as orexin receptor antagonists 克罗诺斯治疗有限公司 2024-03-08 CN disclosed
WO-2023160638-A1 RIP1 MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-08-31 WO disclosed
US-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists CHRONOS THERAPEUTICS LIMITED (GB) 2023-05-30 US disclosed
US-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists CHRONOS THERAPEUTICS LIMITED (GB) 2023-05-30 US disclosed
US-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists CHRONOS THERAPEUTICS LIMITED (GB) 2023-05-30 US disclosed
US-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS CHRONOS THERAPEUTICS LIMITED (GB) 2022-10-20 US disclosed
CN-113811324-A Small molecule Focal Adhesion Kinase (FAK) inhibitors 达纳-法伯癌症研究公司 2021-12-17 CN disclosed
CN-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 CN disclosed
EP-3676261-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Chronos Therapeutics Limited (GB) 2020-07-08 EP disclosed
US-7659401-B2 N-(2-methyl-7-pyridin-3-yl-thiazolo[4,5-c]pyridin-4-yl)-N-(2(4)-methyl-thiazol-4(2)-yl)-amine; metabotropic glutamate receptor antagonists; mGluR5 receptor mediated disorders; nervous system disorders; analgesics; incontinence; liver disorders; obesity; Fragile x syndrome; autism;Alzeimer's disease HOFFMANN-LA ROCHE INC. (US) 2010-02-09 US disclosed
EP-2086324-A2 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS Merck & Co., Inc. (US) 2009-08-12 EP disclosed
CN-101291939-A Thiazolo[4,5-C]pyridine derivatives as mGluR5 receptor antagonists HOFFMANN LA ROCHE (CH) 2008-10-22 CN disclosed
WO-2008057336-A2 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK & CO., INC. (US) 2008-05-15 WO disclosed
CN-101137653-A Thiazole-4-carboxamide derivatives as MGLUR5 antagonists HOFFMANN LA ROCHE (CH) 2008-03-05 CN disclosed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
US-20070105891-A1 Thiazole[4,5-C]pyridine derivatives HOFFMANN-LA ROCHE INC. 2007-05-10 US disclosed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US disclosed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 WO disclosed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 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 (4 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-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 RAB9A 3231/4885NPC1 2568/4885SMN1; SMN2 3071/4885
US-20070105891-A1 Thiazole[4,5-C]pyridine derivatives GRM5, GRIK5, GRM1 RAB9A 1987/4885NPC1 1014/4885SMN1; SMN2 2048/4885
US-20220331299-A1 SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R RAB9A 2293/4885NPC1 492/4885SMN1; SMN2 1974/4885
US-11660293-B2 Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists HCRTR2, HCRTR1, NPY1R RAB9A 2293/4885NPC1 492/4885SMN1; SMN2 1974/4885

“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.