SCHEMBL1999154

SCHEMBL1999154

O=CNCc1ccc2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.59
ADH1C P00326 1/20 0.59
ADH1A P07327 1/20 0.59
ADH7 P40394 1/20 0.59
MC5R P33032 4/20 0.56
MC4R P32245 3/20 0.56
MC3R P41968 2/20 0.53
MAPK1 P28482 1/20 0.51
CYP1A2 P05177 1/20 0.48
CYP2A6 P11509 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
RAB9A P51151 1/20 0.46
IDO1 P14902 1/20 0.46

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
SCHEMBL761211 0.81 CA12 (0.49) MC5RMC4RMC3RCYP1A2CYP2A6
SCHEMBL4672721 0.81 ADH1B (0.46) ADH1BADH1CADH1AADH7MC5R
SCHEMBL6008141 0.81 MC5R (0.71) MC5RMC4RMC3RMAPK1CYP1A2
SCHEMBL24060221 0.79 MC5R (0.50) MC5RMC4RMC3RMAPK1CYP1A2
SCHEMBL8750958 0.77 ADH1B (0.71) ADH1BADH1CADH1AADH7
SCHEMBL28168169 0.77 MC5R (0.51) MC5RMC4RMC3RMAPK1CYP1A2
SCHEMBL8763196 0.76 ADH1B (0.76) ADH1BADH1CADH1AADH7
SCHEMBL4017226 0.76 MC5R (0.65) MC5RMC4RMC3RMAPK1CYP1A2
SCHEMBL720558 0.75 CYP1A2 (0.56) MC5RMC4RMC3RMAPK1CYP1A2
SCHEMBL29955760 0.75 CYP1A2 (0.56) MC5RMC4RMC3RMAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577377-B2 Substituted cyclopenta pyrimidine bicyclic compounds having antimitotic and/or antitumor activity and methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2020-03-03 US disclosed
EP-2797603-B1 APTAMERS AND DIAGNOSTIC METHODS FOR DETECTING THE EGF RECEPTOR SOMALOGIC INC (US) 2019-02-20 EP disclosed
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 US disclosed
EP-3335714-A1 APTAMERS AND DIAGNOSTIC METHODS FOR DETECTING THE EGF RECEPTOR Quest Diagnostics Investments Incorporated (US) 2018-06-20 EP disclosed
US-20180118695-A1 Substituted Cyclopenta Pyrimidine Bicyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2018-05-03 US disclosed
EP-2798085-B1 APTAMERS AND DIAGNOSTIC METHODS FOR DETECTING THE EGF RECEPTOR QUEST DIAGNOSTICS INVEST INC (US) 2018-01-24 EP disclosed
US-9651556-B2 Aptamers and diagnostic methods for detecting the EGF receptor QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) 2017-05-16 US disclosed
EP-2683729-B1 APTAMERS FOR CLOSTRIDIUM DIFFICILE DIAGNOSTICS SOMALOGIC INC (US) 2017-05-03 EP disclosed
US-9624178-B2 Substituted cyclopenta pyrimidine bicyclic compounds having antitmitotic and/or antitumor activity methods of use thereof DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2017-04-18 US disclosed
US-9316647-B2 Aptamers and diagnostic methods for detecting the EGF receptor SOMALOGIC, INC. (US) 2016-04-19 US disclosed
US-6121282-A 3-(CARBOXY, AMIDO, CYANO, OR HYDROXYAMINOCARBONYL)-6 OR 7-SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINE COMPOUNDS ELI LILLY AND COMPANY (US) 2000-09-19 US disclosed
EP-1019378-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 2000-07-19 EP disclosed
US-6040289-A ACTIVE DRUG TREATING OBESITY DR. KARL THOMAE GMBH (DE) 2000-03-21 US disclosed
US-5962530-A NEUROPEPTIDE Y ANTAGONIST DR. KARL THOMAE GMBH (DE) 1999-10-05 US disclosed
EP-0925063-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1999-06-30 EP disclosed
WO-1998000137-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1998-01-08 WO disclosed
WO-1998000403-A1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS ELI LILLY AND COMPANY (US) 1998-01-08 WO disclosed
US-5688823-A ANTILIPEMIC AGENTS, ANTIGLYCEMIC AGENTS, OBESITY, GLUCOSE TOLERANCE INSUFFICIENCY, INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1997-11-18 US disclosed
US-5578620-A TREATMENT OF DIABETES AND HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 1996-11-26 US disclosed
EP-0678511-A2 Thiazolidine and oxazolidine derivatives, their preparation and their medical use SANKYO COMPANY LIMITED (JP) 1995-10-25 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-10577377-B2 Substituted cyclopenta pyrimidine bicyclic compounds having antimitotic and/or antitumor activity and methods of use thereof ABCG2, ABCB1, ABCC1 ADH1B 2562/4885ADH1C 3661/4885ADH1A 3984/4885
US-20180118695-A1 Substituted Cyclopenta Pyrimidine Bicyclic Compounds Having Antimitotic and/or Antitumor Activity and Methods of Use Thereof ABCG2, ABCB1, ABCC1 ADH1B 2562/4885ADH1C 3661/4885ADH1A 3984/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS ADH1B 4135/4885ADH1C 2989/4885ADH1A 4125/4885

“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.