SCHEMBL1610644

SCHEMBL1610644

[CH2]CC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
CYP19A1 P11511 4/20 0.46
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
EPHX1 P07099 2/20 0.44
SIGMAR1 Q99720 2/20 0.42
ACP3 P15309 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
MAOA P21397 1/20 0.41
CYP2A6 P11509 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 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
SCHEMBL6986121 0.86 SMN1; SMN2 (0.45) MTNR1AMTNR1BCYP19A1
SCHEMBL146771 0.85 MTNR1A (0.55) MTNR1AMTNR1BCYP19A1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL30185866 0.83 MTNR1A (0.53) MTNR1AMTNR1BCYP19A1SLC6A2SLC6A4
SCHEMBL28696042 0.83 MTNR1A (0.53) MTNR1AMTNR1BCYP19A1SLC6A2SLC6A4
SCHEMBL3031215 0.83 TAAR1 (0.43) TAAR1
SCHEMBL2088669 0.83 CYP19A1 (0.49) MTNR1AMTNR1BCYP19A1SLC6A2SLC6A4
SCHEMBL4773619 0.79 CYP19A1 (0.53) MTNR1AMTNR1BCYP19A1SLC6A2SLC6A4
SCHEMBL7192033 0.79 MTNR1A (0.50) MTNR1AMTNR1BCYP19A1SLC6A2SLC6A4
SCHEMBL205557 0.78 CYP19A1 (0.49) CYP19A1SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL8810284 0.77 GABBR2 (0.53) MTNR1AMTNR1BCYP19A1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358265-B2 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors VERNALIS (R&D) LTD 2008-04-15 US claimed
CN-100351245-C Oxa- and thiadiazoles and their use as metalloproteinase inhibitors VERNALIS OXFORD LTD (GB) 2007-11-28 CN claimed
EP-1476438-B1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS R&D LTD (GB) 2007-04-18 EP claimed
CN-1747731-A Imidazopyridines containing combinations and their use in treating gastrointestinal inflammatory disorders ALTANA PHARMA AG (DE) 2006-03-15 CN claimed
US-20050222189-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors VERNALIS (OXFORD) LTD (GB) 2005-10-06 US claimed
CN-1646505-A Oxa- and thiadiazoles and their use as metalloproteinase inhibitors VERNALIS OXFORD LTD (GB) 2005-07-27 CN claimed
WO-2004101537-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LTD (GB) 2004-11-25 WO claimed
EP-1476438-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS Vernalis (Oxford) Ltd (GB) 2004-11-17 EP claimed
WO-2003070711-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LTD (GB) 2003-08-28 WO claimed
US-20030149084-A1 Cytostatic agents AYSCOUGH ANDREW PAUL (GB) 2003-08-07 US claimed
JP-2002535272-A 2002-10-22 JP claimed
EP-1146868-A1 ANTI-INFLAMMATORY AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-10-24 EP claimed
EP-1054861-A1 CYTOSTATIC AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-11-29 EP claimed
WO-2000043001-A1 ANTI-INFLAMMATORY AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2000-07-27 WO claimed
WO-1999041232-A1 CYTOSTATIC AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-08-19 WO claimed
WO-2020031897-A1 POLYMERIZATION INITIATOR, CURABLE COMPOSITION, DENTAL MATERIAL, AND PREPARATION KIT FOR CURABLE COMPOSITION 三井化学株式会社 2020-02-13 WO disclosed
US-20110086893-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS VERNALIS (OXFORD) LTD (GB) 2011-04-14 US disclosed
US-5071856-A CARBOSTYRIL DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-12-10 US disclosed
US-4886809-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-12-12 US disclosed
EP-0255134-A2 Carbostyril derivatives and salts thereof, process for preparing them, and cardiotonic composition containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-02-03 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 (3 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-20030149084-A1 Cytostatic agents MCTS1, NNMT, MMP12 MTNR1A 1551/4885MTNR1B 1988/4885CYP19A1 1916/4885
US-20050222189-A1 Oxa-and thiadiazoles and their use as metalloproteinase inhibitors MMP9, TIMP3, MMP13 MTNR1A 1097/4885MTNR1B 1182/4885CYP19A1 314/4885
US-20110086893-A1 OXA- AND THIADIAZOLES AND THEIR USE AS METALLOPROTEINASE INHIBITORS MMP12, TIMP3, MMP9 MTNR1A 797/4885MTNR1B 857/4885CYP19A1 246/4885

“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.