SCHEMBL6984300

SCHEMBL6984300

CC(C)(C)Cc1c(F)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.55
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 2/20 0.45
BACE1 P56817 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP2A13 Q16696 1/20 0.44
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 2/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 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
SCHEMBL4403486 0.85 KDM4E (0.39) TAAR1GAASMN1; SMN2KMT2AMEN1
SCHEMBL6980883 0.85 TAAR1 (0.44) TAAR1GAASMN1; SMN2KMT2AHTT
SCHEMBL20428009 0.83 TAAR1 (0.50) TAAR1GAASMN1; SMN2KMT2AMEN1
SCHEMBL27635788 0.82 TAAR1 (0.57) TAAR1GAASMN1; SMN2KMT2AMEN1
SCHEMBL12561924 0.81 TAAR1 (0.61) TAAR1GAASMN1; SMN2KMT2AMEN1
SCHEMBL16939391 0.78 TAAR1 (0.39) TAAR1GAASMN1; SMN2KDM4EPKM
SCHEMBL12870195 0.78 ACHE (0.44) TAAR1GAASMN1; SMN2KMT2AMEN1
SCHEMBL18419796 0.77 P2RX7 (0.39) TAAR1KMT2AMEN1
SCHEMBL805461 0.77 TAAR1 (0.61) TAAR1GAASMN1; SMN2KMT2AMEN1
SCHEMBL13900453 0.77 HTT (0.58) TAAR1GAASMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023147597-A2 ALLOSTERIC STING MODULATORS AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-03 WO disclosed
US-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 US disclosed
US-10022371-B2 Procaspase-activating compounds and methods THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-07-17 US disclosed
US-10022371-B2 Procaspase-activating compounds and methods THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-07-17 US disclosed
US-9663482-B2 Substituted piperazinyl acetohydrazide procaspase-activating compounds THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-05-30 US disclosed
US-20160176833-A1 ENZYME-ACTIVATING COMPOUNDS AND COMPOSITIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-06-23 US disclosed
EP-2069303-B1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES INC (US) 2016-03-30 EP disclosed
US-9249116-B2 Enzyme-activating compounds and compositions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-02-02 US disclosed
US-20150266856-A1 RORGamma Modulators EXELIXIS, INC. 2015-09-24 US disclosed
US-20150231132-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2015-08-20 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-7737154-B2 CRF receptor antagonists and methods relating thereto SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2010-06-15 US disclosed
US-7723380-B2 Tetrahydrofuro[2,3-b]furyl carbamates containing an (oxy)hydrazide group; these compounds target the HIV protease in both wild type and mutant strains of HIV. GILEAD SCIENCES, INC. (US) 2010-05-25 US disclosed
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 US disclosed
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2009-12-10 US disclosed
US-20090105279-A1 Antiviral protease inhibitors GILEAD SCIENCES, INC. 2009-04-23 US disclosed
US-7425552-B2 Antiviral agent especially to treat hepatitis C virus infections; 5-Hydroxy-4-(7-methoxy-1,1-dioxo-1,2-dihydro-1 lambda 6-benzo[1,2,4]thiadiazin-3-yl)-2-(3-methyl-butyl)-6-thiophen-2-yl-2H-py-ridazin-3-one; side effects reduction ANADYS PHARMACEUTICALS, INC. (US) 2008-09-16 US disclosed
US-7425552-B2 Antiviral agent especially to treat hepatitis C virus infections; 5-Hydroxy-4-(7-methoxy-1,1-dioxo-1,2-dihydro-1 lambda 6-benzo[1,2,4]thiadiazin-3-yl)-2-(3-methyl-butyl)-6-thiophen-2-yl-2H-py-ridazin-3-one; side effects reduction ANADYS PHARMACEUTICALS, INC. (US) 2008-09-16 US disclosed
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto NEUROCRINE BIOSCIENCES, INC. 2007-12-13 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 (10 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-20150266856-A1 RORGamma Modulators RORB, RORA, RORC TAAR1 1473/4885GAA 2229/4885SMN1; SMN2 3767/4885
US-10035790-B2 RORγ modulators RORB, RORA, RORC TAAR1 1070/4885GAA 2832/4885SMN1; SMN2 3896/4885
US-20100204236-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR TAAR1 136/4885GAA 4370/4885SMN1; SMN2 2415/4885
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 TAAR1 173/4885GAA 4319/4885SMN1; SMN2 3956/4885
US-20070287705-A1 Crf Receptor Antagonists and Methods Relating Thereto CRHR1, CRHR2, CRH TAAR1 92/4885GAA 2306/4885SMN1; SMN2 1756/4885
US-20090105279-A1 Antiviral protease inhibitors ACE, TMPRSS15, MME TAAR1 4724/4885GAA 78/4885SMN1; SMN2 2343/4885
US-20150231132-A1 PROCASPASE-ACTIVATING COMPOUNDS AND METHODS CASP3, CASP5, CASP6 TAAR1 4825/4885GAA 414/4885SMN1; SMN2 3087/4885
US-10022371-B2 Procaspase-activating compounds and methods CASP3, CASP5, CASP6 TAAR1 4825/4885GAA 414/4885SMN1; SMN2 3087/4885
US-20160176833-A1 ENZYME-ACTIVATING COMPOUNDS AND COMPOSITIONS RNASE1, CASP3, CASP5 TAAR1 4487/4885GAA 26/4885SMN1; SMN2 3437/4885
US-20090306112-A1 ANTIVIRAL PROTEASE INHIBITORS ACE, DNPEP, TMPRSS15 TAAR1 4736/4885GAA 76/4885SMN1; SMN2 2337/4885

“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.