SCHEMBL945182

SCHEMBL945182

OC[C@H]1COCCN1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
S1PR1 P21453 1/20 0.46
GBA1 P04062 1/20 0.46
SPHK2 Q9NRA0 3/20 0.45
SPHK1 Q9NYA1 3/20 0.45
PDK1 Q15118 1/20 0.43
POLB P06746 1/20 0.42
LTA4H P09960 1/20 0.41

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
SCHEMBL945183 1.00 SIGMAR1 (0.47) SIGMAR1S1PR1GBA1SPHK2SPHK1
SCHEMBL1880066 1.00 SIGMAR1 (0.47) SIGMAR1S1PR1GBA1SPHK2SPHK1
Hydrochloric Acid SCHEMBL1442190 0.98 SIGMAR1 (0.46) SIGMAR1S1PR1GBA1SPHK2SPHK1
Hydrochloric Acid SCHEMBL1442192 0.98 SIGMAR1 (0.46) SIGMAR1S1PR1GBA1SPHK2SPHK1
Hydrochloric Acid SCHEMBL1730624 0.98 SIGMAR1 (0.46) SIGMAR1S1PR1GBA1SPHK2SPHK1
SCHEMBL31048186 0.91 SPHK2 (0.49) SIGMAR1GBA1SPHK2SPHK1PDK1
SCHEMBL2465869 0.88 SIGMAR1 (0.54) SIGMAR1POLB
SCHEMBL2465872 0.88 SIGMAR1 (0.54) SIGMAR1POLB
SCHEMBL14995124 0.86
SCHEMBL2459177 0.86 LTA4H (0.42) SIGMAR1GBA1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126871-B1 TRIAZOLONE COMPOUNDS HEPTARES THERAPEUTICS LTD (GB) 2024-05-08 EP disclosed
US-20230146796-A1 TRIAZOLONE COMPOUNDS ASTRAZENECA AB (SE) 2023-05-11 US disclosed
US-20230146796-A1 TRIAZOLONE COMPOUNDS ASTRAZENECA AB (SE) 2023-05-11 US disclosed
US-20230146796-A1 TRIAZOLONE COMPOUNDS ASTRAZENECA AB (SE) 2023-05-11 US disclosed
WO-2021191380-A1 TRIAZOLONE COMPOUNDS ASTRAZENECA AB (SE) 2021-09-30 WO disclosed
US-8796269-B2 Crystalline 2-(3,5-Bis(trifluoromethyl)phenyl)-N-(4-(4-fluoro-2-methylphenyl)-6-((7S,9aS)-7-(hydroxymethyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl)pyridin-3-yl)-N,2-dimethyl-propanamide of the formula (I), their use in therapy, and process for the preparation of the same NERRE THERAPEUTICS LIMITED (GB) 2014-08-05 US disclosed
US-8796269-B2 Crystalline 2-(3,5-Bis(trifluoromethyl)phenyl)-N-(4-(4-fluoro-2-methylphenyl)-6-((7S,9aS)-7-(hydroxymethyl)hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl)pyridin-3-yl)-N,2-dimethyl-propanamide of the formula (I), their use in therapy, and process for the preparation of the same NERRE THERAPEUTICS LIMITED (GB) 2014-08-05 US disclosed
EP-2470545-B1 ANHYDRATE FORMS OF A PYRIDINE DERIVATIVE NERRE THERAPEUTICS LTD (GB) 2013-10-09 EP disclosed
EP-2170906-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2013-04-03 EP disclosed
US-8338592-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2012-12-25 US disclosed
US-20110003785-A1 Fused Thiazole Derivatives As Kinase Inhibitors UCB PHARMA, S.A. (BE) 2011-01-06 US disclosed
US-20100298310-A1 Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-11-25 US disclosed
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-06-03 US disclosed
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2008-12-11 US disclosed
EP-0972775-B1 PYRROLOINDOLE DERIVATIVES AND INTERMEDIATES IN PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2004-12-08 EP disclosed
EP-1432706-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
WO-2003027085-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO disclosed
US-6080859-A 1-CHLOROMETHYL, 3-((HETEROARYL OR ARYL)CARBONYL), 5-(HETEROCYCLE-AMINOCARBONYLOXY),7-TRIFLUOROMETHYL, 8-ALKOXYCARBONYL-1,2,3,6-TETRAHYDROPYRROLO(3,2-E)INDOLE OF GIVEN STRUCTURE; ANTITUMOR AND ANTIMICROBIAL ACTIVITY KYORIN PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 US disclosed
EP-0972775-A1 PYRROLOINDOLE DERIVATIVES AND INTERMEDIATES IN PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 2000-01-19 EP disclosed
CN-1037149-A The preparation method of 3-alkenyl-1-azabicyclo [3,2,0] hept-2-ene\"-2-carboxylic acid cpd FUJISAWA PHARMACEUTICAL CO (JP) 1989-11-15 CN 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-20110003785-A1 Fused Thiazole Derivatives As Kinase Inhibitors PI4KA, PDPK1, MAP4K2 SIGMAR1 3410/4885S1PR1 1949/4885GBA1 3224/4885
US-20230146796-A1 TRIAZOLONE COMPOUNDS ADORA2A, ADORA1, ADORA3 SIGMAR1 171/4885S1PR1 368/4885GBA1 453/4885
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors PI4KA, PDPK1, PIK3CA SIGMAR1 3371/4885S1PR1 2004/4885GBA1 3485/4885
US-20100298310-A1 Thiazole Derivatives as Kinase Inhibitors TEC, BTK, PI4KA SIGMAR1 2470/4885S1PR1 1547/4885GBA1 2231/4885
US-20080306060-A1 Fused Thiazole Derivatives as Kinase Inhibitors MAP4K2, PDPK1, DAPK2 SIGMAR1 3839/4885S1PR1 3160/4885GBA1 2631/4885

“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.