SCHEMBL357990

SCHEMBL357990

CC(CO)Cc1c[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.66
ADRB1 P08588 1/20 0.66
HTR1A P08908 1/20 0.66
ADRA2A P08913 1/20 0.66
SLC6A2 P23975 1/20 0.66
HTR1D P28221 1/20 0.66
HTR1B P28222 1/20 0.66
HTR2C P28335 1/20 0.66
HTR1E P28566 1/20 0.66
SLC6A4 P31645 1/20 0.66
HTR7 P34969 1/20 0.66
HTR2B P41595 1/20 0.66
HTR6 P50406 1/20 0.66
SLC6A3 Q01959 1/20 0.66
KDM4E B2RXH2 4/20 0.63
MAPT P10636 3/20 0.63
POLB P06746 2/20 0.63
APAF1 O14727 1/20 0.63
RECQL P46063 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63

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
SCHEMBL1911320 1.00 HTR2A (0.66) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL28878178 0.87 HTR2A (0.67) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL14473032 0.85 HTR2A (0.69) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL22803428 0.85 HTR2A (0.69) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL7149267 0.85 SMN1; SMN2 (0.62) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL8246556 0.85 HTR2A (0.69) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL360064 0.85 HTR2A (0.69) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL24178325 0.84 ADRB3 (0.63) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL24820010 0.84 ADRB1 (0.62) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL24820009 0.84 ADRB1 (0.62) HTR2AADRB1HTR1AADRA2ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10954193-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2021-03-23 US disclosed
EP-3038618-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2020-10-14 EP disclosed
US-20180258039-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2018-09-13 US disclosed
US-10005728-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2018-06-26 US disclosed
US-9802959-B2 Method of producing (4R,12aS)-7,9-dihalo-4-methyl-3,4,12,12a-tetrahydro-2H-pyrido[1′,2′:4,5]pyrazino[2,1-b][1,3]oxazine-6,8-diones SHIONOGI & CO., LTD. (JP) 2017-10-31 US disclosed
US-20170240564-A1 METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2017-08-24 US disclosed
US-9650394-B2 Methods of producing substituted (3S,11aR)-6-hydroxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-Hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxamides SHIONOGI & CO., LTD. (JP) 2017-05-16 US disclosed
US-9505783-B2 Method of producing pyrone and pyridone derivatives SHIONOGI & CO., LTD. (JP) 2016-11-29 US disclosed
US-9428448-B2 Compounds and methods of treating obesity YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2016-08-30 US disclosed
US-20160229870-A1 METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2016-08-11 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 US disclosed
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 US disclosed
US-20100222585-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-24 US disclosed
WO-2007118793-A1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-25 WO disclosed
EP-1847543-A1 Dihydrothienopyrimidines for the treatment of inflammatory diseases Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-10-24 EP disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO disclosed
US-5455262-A Treating arthritis, tumor metastasis, periodontal disease, corneal ulceration, bone resorption diseases, glomerular diseases FLORIDA STATE UNIVERSITY (US) 1995-10-03 US 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 (7 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-20180258039-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2, BCL2L1 HTR2A 586/4885ADRB1 2849/4885HTR1A 813/4885
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system PDE4A, PDE4B, PDE12 HTR2A 3590/4885ADRB1 689/4885HTR1A 2247/4885
US-20100222585-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN DPYD, TYMS, DHFR HTR2A 3255/4885ADRB1 2961/4885HTR1A 2158/4885
US-10005728-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2, BCL2L1 HTR2A 586/4885ADRB1 2849/4885HTR1A 813/4885
US-20170240564-A1 METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY XDH, DRD4, PYM1 HTR2A 2840/4885ADRB1 1744/4885HTR1A 1995/4885
US-20160229870-A1 METHODS OF PRODUCING COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY XDH, VRK2, PYM1 HTR2A 3450/4885ADRB1 1282/4885HTR1A 2176/4885
US-10954193-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2, BCL2L1 HTR2A 586/4885ADRB1 2849/4885HTR1A 813/4885

“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.