SCHEMBL45798

SCHEMBL45798

CCCCCN1C=CCC=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.39
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
FAAH O00519 2/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MITF O75030 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33

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
SCHEMBL18786517 0.98 PTGS1 (0.42) MGLLPTGS1PTGS2FAAHNPC1
Alcohol SCHEMBL28659728 0.94 NPC1 (0.36) MGLLPTGS1PTGS2FAAHNPC1
Hydrochloric Acid SCHEMBL1471336 0.94 PTGS1 (0.39) MGLLPTGS1PTGS2FAAHNPC1
SCHEMBL13493092 0.82
SCHEMBL18838747 0.82 NPC1 (0.44) MGLLPTGS1PTGS2FAAHNPC1
SCHEMBL4270831 0.79 TSHR (0.47) MGLLPTGS1PTGS2FAAHNPC1
SCHEMBL4270037 0.79 TSHR (0.47) MGLLPTGS1PTGS2FAAHNPC1
SCHEMBL4274617 0.79 TSHR (0.47) MGLLPTGS1PTGS2FAAHNPC1
SCHEMBL7204901 0.75 NPC1 (0.41) MGLLPTGS1PTGS2FAAHNPC1
SCHEMBL665738 0.75 NPC1 (0.43) MGLLPTGS1PTGS2FAAHNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0002231-A1 1-N-aryl-1,4-dihydropyridines, process for their preparation and their pharmaceutical application BAYER AG (DE) 1979-06-13 EP claimed
EP-2576536-B1 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS UNIV QUEENSLAND (AU) 2016-09-14 EP disclosed
US-9199976-B2 Haematopoietic-prostaglandin D2 synthase inhibitors THE UNIVERSITY OF QUEENSLAND (AU) 2015-12-01 US disclosed
US-20130137684-A1 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2013-05-30 US disclosed
EP-2576536-A2 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS The University of Queensland (AU) 2013-04-10 EP disclosed
WO-2011150457-A2 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2011-12-08 WO disclosed
WO-2008116913-A2 PEPTIDE COMPOUNDS WITH TRANSIENT BIODEGRADABLE PEGYLATION NOVO NORDISK A/S (DK) 2008-10-02 WO disclosed
US-5942526-A TREATMENT OF NERVOUS SYSTEM DISORDERS; SELECTIVE POTASSIUM CHANNEL MODULATORS BAYER AKTIENGESELLSCHAFT (DE) 1999-08-24 US disclosed
EP-0717036-B1 Use of 5-acyl-1,4-dihydropyridines for the treatment of diseases of the CNS BAYER AG (DE) 1999-03-17 EP disclosed
US-5646166-A POTASSIUM CHANNEL MODULATORS, TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1997-07-08 US disclosed
US-5008390-A Compounds for preparing 6-phenyl-2,3-dihydroimidazo[2,1-b]-thiazoles and corresponding thiazines SMITHKLINE BECKMAN CORPORATION (US) 1991-04-16 US disclosed
EP-0321490-A4 INHIBITION OF INTERLEUKIN-1 PRODUCTION BY MONOCYTES AND/OR MACROPHAGES. SMITHKLINE BECKMAN CORP (US) 1990-05-14 EP disclosed
EP-0321490-A1 INHIBITION OF INTERLEUKIN-1 PRODUCTION BY MONOCYTES AND/OR MACROPHAGES. SMITHKLINE BECKMAN CORP (US) 1989-06-28 EP disclosed
US-4803279-A 1.4-dihydro-4-pyridyl-substituted imidazo (2,1-b) thiazoles and the corresponding thiazines. SMITHKLINE BECKMAN CORPORATION (US) 1989-02-07 US disclosed
WO-1988001169-A1 INHIBITION OF INTERLEUKIN-1 PRODUCTION BY MONOCYTES AND/OR MACROPHAGES SMITHKLINE BECKMAN CORPORATION (US) 1988-02-25 WO disclosed
EP-0231622-A2 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORPORATION (US) 1987-08-12 EP disclosed
EP-0203787-A2 Process for preparing pyridyl-substituted imidazo[2,1-b]thiazoles and thiazines SMITHKLINE BEECHAM CORPORATION (US) 1986-12-03 EP disclosed
EP-0002231-A1 1-N-aryl-1,4-dihydropyridines, process for their preparation and their pharmaceutical application BAYER AG (DE) 1979-06-13 EP disclosed
EP-0002231-A1 1-N-aryl-1,4-dihydropyridines, process for their preparation and their pharmaceutical application BAYER AG (DE) 1979-06-13 EP disclosed
EP-0002231-A1 1-N-aryl-1,4-dihydropyridines, process for their preparation and their pharmaceutical application BAYER AG (DE) 1979-06-13 EP 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 (1 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-20130137684-A1 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS HPGDS, PTGES, PTGIS MGLL 589/4885PTGS1 5/4885PTGS2 4/4885

“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.