SCHEMBL788140

SCHEMBL788140

CN(C)c1ccccc1-c1ccc(C2CCCCC2)c(C2CCCCC2)c1P

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 1/20 0.35
PTGS2 P35354 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
PSMB5 P28074 1/20 0.33
HTR6 P50406 1/20 0.33
NSD2 O96028 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EGFR P00533 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
PTPRC P08575 1/20 0.30

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
SCHEMBL19182356 0.88 HTR1A (0.35) PTGS2HTR1AHTR7PSMB5HTR6
SCHEMBL29732972 0.87 PTGS2 (0.40) CAMKK2PTGS2HTR1AHTR7PSMB5
SCHEMBL2969965 0.86 PTGS2 (0.40) CAMKK2PTGS2HTR1AHTR7PSMB5
SCHEMBL287733 0.82 S1PR1 (0.38) PTGS2HTR1AHTR7PSMB5PTPRC
SCHEMBL28747404 0.81 HTR1A (0.37) HTR1AHTR7PSMB5HTR6
SCHEMBL28278174 0.79 ADRA2A (0.35) CAMKK2PTGS2HTR1AADRA2AADRA2B
SCHEMBL28000625 0.79 ABCB1 (0.42) PTGS2HTR1AHTR7
SCHEMBL641745 0.79 PTPN5 (0.37) CAMKK2PTGS2HTR6NSD2ALDH1A1
SCHEMBL5379529 0.78 PTPN1 (0.35) PTGS2ALDH1A1LMNAL3MBTL1ADRA2A
SCHEMBL28855915 0.78 HTR1A (0.42) PTGS2HTR1AHTR7PSMB5HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190854-A1 Hydroamination of Alkenes THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-07-26 US claimed
US-8188302-B2 Hydroamination of alkenes THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-05-29 US claimed
US-20090156824-A1 Hydroamination of Alkenes BOARD OF TRUSTEES OF UNIVERSITY OF ILLINOIS (US) 2009-06-18 US claimed
US-20230203077-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2023-06-29 US disclosed
US-11603381-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same YALE UNIVERSITY (US) 2023-03-14 US disclosed
US-11384075-B2 Quinolinone compounds JANSSEN PHARMACEUTICA NV (BE) 2022-07-12 US disclosed
US-11332435-B2 Method for producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4- chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic acid and the crystalline form thereof for use as a pharmaceutical ingredient BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-05-17 US disclosed
US-20210179541-A1 Method for Producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic Acid and the Crystalline Form Thereof for Use as a Pharmaceutical Ingredient BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-06-17 US disclosed
US-20210139470-A1 New Quinolinone Compounds JOHNSON & JOHNSON (CHINA) INVESTMENT LTD. (CN) 2021-05-13 US disclosed
US-20210061834-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME NATIONAL SCIENCE FOUNDATION 2021-03-04 US disclosed
US-10894802-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same YALE UNIVERSITY (US) 2021-01-19 US disclosed
US-20030195188-A1 Pyridine and quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-10-16 US disclosed
EP-1210320-A1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1BETA AND TNF-ALPHA LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2002-06-05 EP disclosed
EP-1202954-A1 NOVEL AMINOBENZOPHENONES LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2002-05-08 EP disclosed
EP-1202959-A1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1-BETA AND TNF-ALPHA LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2002-05-08 EP disclosed
EP-1194426-A2 BENZOFURANE DERIVATIVES MERCK PATENT GmbH (DE) 2002-04-10 EP disclosed
WO-2001005749-A1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1β AND TNF-$g(a) Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 2001-01-25 WO disclosed
WO-2001005744-A1 NOVEL AMINOBENZOPHENONES Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 2001-01-25 WO disclosed
WO-2001005746-A1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1β AND TNF-$g(a) Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 2001-01-25 WO disclosed
WO-2001004112-A2 BENZOFURANE DERIVATIVES MERCK PATENT GMBH (DE) 2001-01-18 WO 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 (11 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-20090156824-A1 Hydroamination of Alkenes HRH3, HRH4, H1-3 CAMKK2 3398/4885PTGS2 3835/4885HTR1A 1358/4885
US-11603381-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same TIMCC, YAP1, TET2 CAMKK2 2683/4885PTGS2 293/4885HTR1A 4671/4885
US-20210061834-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME TIMCC, YAP1, TET2 CAMKK2 2871/4885PTGS2 231/4885HTR1A 4651/4885
US-20230203077-A1 NOVEL PRECATALYST SCAFFOLDS FOR CROSS-COUPLING REACTIONS, AND METHODS OF MAKING AND USING SAME TIMCC, YAP1, TET2 CAMKK2 2871/4885PTGS2 231/4885HTR1A 4651/4885
US-20210179541-A1 Method for Producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic Acid and the Crystalline Form Thereof for Use as a Pharmaceutical Ingredient FABP3, PCCA, HMGCR CAMKK2 1613/4885PTGS2 1130/4885HTR1A 987/4885
US-20210139470-A1 New Quinolinone Compounds FGFR1, FGFR2, FGFR3 CAMKK2 2096/4885PTGS2 2107/4885HTR1A 3110/4885
US-20030195188-A1 Pyridine and quinoline derivatives DPP4, DPP3, DPP7 CAMKK2 3162/4885PTGS2 2345/4885HTR1A 410/4885
US-10894802-B2 Precatalyst scaffolds for cross-coupling reactions, and methods of making and using same TIMCC, YAP1, TET2 CAMKK2 2683/4885PTGS2 293/4885HTR1A 4671/4885
US-11384075-B2 Quinolinone compounds FGFR1, FGFR2, FGFR3 CAMKK2 2457/4885PTGS2 2137/4885HTR1A 3279/4885
US-20120190854-A1 Hydroamination of Alkenes HRH3, HRH4, H1-3 CAMKK2 3398/4885PTGS2 3835/4885HTR1A 1358/4885
US-11332435-B2 Method for producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4- chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic acid and the crystalline form thereof for use as a pharmaceutical ingredient FABP3, PCCA, HMGCR CAMKK2 1613/4885PTGS2 1130/4885HTR1A 987/4885

“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.