SCHEMBL3576543

SCHEMBL3576543

COC(=O)c1ccc(C2CC2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.46
ABL1 P00519 1/20 0.45
SLC6A4 P31645 3/20 0.44
SLC6A2 P23975 1/20 0.44
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMURF2 Q9HAU4 1/20 0.41
SMURF1 Q9HCE7 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LMNA P02545 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL8336888 0.94 ACMSD (0.45) SLC6A3ABL1SLC6A4SLC6A2KDM4E
SCHEMBL18668155 0.87 MEN1 (0.50) SLC6A3ABL1SLC6A4SLC6A2KDM4E
SCHEMBL26608440 0.86 ABL1 (0.42) SLC6A3ABL1SLC6A4SLC6A2KDM4E
SCHEMBL31386198 0.84 CYP2D6 (0.56) SLC6A3SLC6A4SLC6A2
SCHEMBL26608308 0.84 PDK2 (0.40) SLC6A3ABL1SLC6A4SLC6A2ALDH1A1
SCHEMBL17261711 0.83 CYP4F2 (0.47) ALDH1A1SMURF2SMURF1CA12CA1
SCHEMBL18298942 0.83 SMURF2 (0.39) SLC6A3SMURF2SMURF1CA12CA1
SCHEMBL16055426 0.82 CA12 (0.59) KDM4EALDH1A1CA12CA1CA2
SCHEMBL1726032 0.82 KDM4E (0.46) SLC6A3ABL1KDM4EALDH1A1CA12
SCHEMBL18075472 0.81 SMURF2 (0.44) SLC6A3SLC6A4SLC6A2SMURF2SMURF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 US disclosed
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 US disclosed
EP-3763367-A1 PYRIDINE-PYRAZOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2021-01-13 EP disclosed
EP-3763367-A1 PYRIDINE-PYRAZOLE DERIVATIVES AS HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2021-01-13 EP disclosed
US-10851072-B2 Inhibitors of Rho/MRTF/SRF-mediated gene transcription and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-12-01 US disclosed
US-10851072-B2 Inhibitors of Rho/MRTF/SRF-mediated gene transcription and methods for use of the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-12-01 US disclosed
EP-2928471-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2020-10-14 EP disclosed
EP-2928471-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2020-10-14 EP disclosed
US-20190308947-A1 INHIBITORS OF RHO/MRTF/SRF-MEDIATED GENE TRANSCRIPTION AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-10-10 US disclosed
WO-2019195641-A2 INHIBITORS OF RHO/MRTF/SRF-MEDIATED GENE TRANSCRIPTION AND METHODS FOR USE OF THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-10-10 WO disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
EP-1984340-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-29 EP disclosed
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. 2007-09-20 US disclosed
WO-2007100758-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-09-07 WO disclosed
US-7259183-B2 Indole, indazole and indoline derivatives as CETP inhibitors HOFFMANN-LA ROCHE INC. (US) 2007-08-21 US disclosed
WO-2007090752-A1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-16 WO disclosed
EP-1776338-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-04-25 EP disclosed
US-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-02-09 US disclosed
WO-2006013048-A1 INDOLE, INDAZOLE OR INDOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-02-09 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 (6 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-20060030613-A1 Indole, indazole and indoline derivatives as CETP inhibitors CETP, NAT1, MTTP SLC6A3 1207/4885ABL1 1693/4885SLC6A4 310/4885
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK SLC6A3 4628/4885ABL1 5/4885SLC6A4 4817/4885
US-20070219261-A1 Anthranilamide and 2-amino-heteroarene-carboxamide compounds AADAT, AAAS, AADAC SLC6A3 4381/4885ABL1 198/4885SLC6A4 3603/4885
US-20190308947-A1 INHIBITORS OF RHO/MRTF/SRF-MEDIATED GENE TRANSCRIPTION AND METHODS FOR USE OF THE SAME RHOXF2, BPTF, SREBF1 SLC6A3 1761/4885ABL1 2744/4885SLC6A4 2641/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 SLC6A3 1955/4885ABL1 3092/4885SLC6A4 1737/4885
US-10851072-B2 Inhibitors of Rho/MRTF/SRF-mediated gene transcription and methods for use of the same RHOXF2, BPTF, SREBF1 SLC6A3 1761/4885ABL1 2744/4885SLC6A4 2641/4885

“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.