SCHEMBL2349002

SCHEMBL2349002

O=[C]C=Cc1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.56
CYP2C9 P11712 2/20 0.56
FBP1 P09467 2/20 0.53
MAOB P27338 4/20 0.49
CHAT P28329 1/20 0.49
CHRM5 P08912 1/20 0.48
RELA Q04206 1/20 0.47
MAOA P21397 2/20 0.45
AKR1C3 P42330 1/20 0.45
CYP2D6 P10635 2/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL2349000 1.00 CYP1A2 (0.56) CYP1A2CYP2C9FBP1MAOBCHAT
SCHEMBL699365 0.80 CHAT (0.67) CYP1A2CYP2C9FBP1MAOBCHAT
SCHEMBL699364 0.80 CHAT (0.67) CYP1A2CYP2C9FBP1MAOBCHAT
SCHEMBL6222770 0.80 ENPP2 (0.56) CYP1A2CYP2C9FBP1MAOBCHAT
SCHEMBL6222767 0.80 ENPP2 (0.56) CYP1A2CYP2C9FBP1MAOBCHAT
SCHEMBL11045431 0.79 AHR (0.48) CYP1A2CYP2C9CYP3A4
SCHEMBL11045428 0.79 AHR (0.48) CYP1A2CYP2C9CYP3A4
SCHEMBL11471054 0.76 CYP1A2 (0.61) CYP1A2CYP2C9FBP1MAOBCHAT
SCHEMBL2319724 0.76 NFE2L2 (0.65) CYP1A2FBP1MAOBCHRM5RELA
SCHEMBL11044918 0.76 APP (0.52) CYP1A2CYP2C9FBP1MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP claimed
EP-2257297-B1 COMPOUNDS FOR USE IN THE TREATMENT OF ACNE, SEBORRHOEA AND SEBHORROEIC DERMATITIS, OR FOR REDUCING SEBUM SECRETION MIMETICA PTY LTD (AU) 2017-10-18 EP disclosed
US-9340517-B2 Methods of modulating the activity of the MC5 receptor and treatment of conditions related to this receptor MIMETICA PTY LTD (AU) 2016-05-17 US disclosed
EP-2257534-B1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2013-11-06 EP disclosed
US-20130225563-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2013-08-29 US disclosed
US-8377925-B2 Methods of modulating the activity of the MC5 receptor and treatment of conditions related to this receptor MIMETICA PTY LTD (AU) 2013-02-19 US disclosed
US-8343958-B2 3-aminoalkyl-1,4-diazepan-2-one melanocortin-5-receptor antagonists MIMETICA PTY LTD (AU) 2013-01-01 US disclosed
US-20110263572-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5-RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2011-10-27 US disclosed
US-8008291-B2 3-aminoalkyl-1,4-diazepan-2-one melanocortin-5 receptor antagonists MIMETICA PTY LTD (AU) 2011-08-30 US disclosed
US-20090221558-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR Marp Therapeutics Pty Ltd (AU) 2009-09-03 US disclosed
US-6545161-B2 Potato and corn crops ISK AMERICAS INCORPORATED 2003-04-08 US disclosed
US-6355799-B1 PREEMERGENT HERBICIDE FOR CEREAL CROP FIELDS, DEFOLIANT FOR POTATO AND COTTON PLANTS ISK AMERICAS INCORPORATED 2002-03-12 US disclosed
EP-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP disclosed
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed
US-4438277-A Hydronaphthalene derivatives SANKYO COMPANY, LIMITED (JP) 1984-03-20 US disclosed
US-4361515-A Antihyperlipemic dihydro-ML-236B derivatives, their preparation and use SANKYO COMPANY, LIMITED (JP) 1982-11-30 US disclosed
US-4352928-A ANTIINFLAMMATORY, HYPOGLYCEMIC, ANTICOAGULANT, ANOREXIGENIC, SEROTONIN EFFEC MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JP) 1982-10-05 US disclosed
EP-0022481-A1 5,6-Alkylenepyrimidine derivatives, processes for preparing the same and pharmaceutical compositions Mitsubishi Yuka Pharmaceutical Co., Ltd. (JP) 1981-01-21 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-20110263572-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5-RECEPTOR ANTAGONISTS MC5R, MC1R, MC3R CYP1A2 1644/4885CYP2C9 1959/4885FBP1 4579/4885
US-20090221558-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MC5R, MC1R, MC3R CYP1A2 1420/4885CYP2C9 1743/4885FBP1 4501/4885
US-20130225563-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MC5R, MC1R, MC3R CYP1A2 1420/4885CYP2C9 1743/4885FBP1 4501/4885

“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.