SCHEMBL1040808

SCHEMBL1040808

CC(C)CNCc1c[c]ccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.40
OPRM1 P35372 6/20 0.40
CA2 P00918 6/20 0.39
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
KCNH2 Q12809 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAP4K4 O95819 1/20 0.34
BCHE P06276 2/20 0.34
HDAC1 Q13547 1/20 0.33

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
SCHEMBL6634951 0.85 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP2D6BCHE
SCHEMBL6637251 0.83 L3MBTL1 (0.40) CA2MEN1KMT2AMAPTHTT
SCHEMBL19692827 0.82 ALDH1A1 (0.51) OPRK1OPRM1CA2ALDH1A1MEN1
SCHEMBL2477823 0.79 GAA (0.37) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3845344 0.78 SIGMAR1 (0.40) CA2ALDH1A1MAPTMAP4K4
SCHEMBL1043443 0.77 OPRK1 (0.40) OPRK1OPRM1CA2ALDH1A1MEN1
SCHEMBL1044325 0.77 MEN1 (0.52) CA2MEN1KMT2AMAPTBCHE
SCHEMBL2018449 0.77 MEN1 (0.56) OPRK1OPRM1ALDH1A1MEN1KMT2A
SCHEMBL1244793 0.77
SCHEMBL6638323 0.76 MEN1 (0.42) MEN1KMT2AMAPTSMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1725528-B1 SULPHONYLPYRROLES AS HDAC INHIBITORS 4SC AG (DE) 2013-05-29 EP claimed
EP-1165557-B1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS NEUROGEN CORP (US) 2004-09-29 EP claimed
US-6627624-B1 Agonists, antagonists or inverse agonists for GABAa brain receptors or prodrugs of agonists, antagonists or inverse agonists for GABAa brain receptors, and are therefore useful in the diagnosis and treatment of anxiety, Down Syndrome, NEUROGEN CORPORATION 2003-09-30 US claimed
WO-2019043176-A2 HDAC INHIBITOR IN COMBINATION WITH ANTIMETABOLITE AGENT FOR CANCER THERAPY 4SC AG (DE) 2019-03-07 WO disclosed
US-8969401-B2 Sulfonylpyrroles 4SC AG (DE) 2015-03-03 US disclosed
EP-1725528-B1 SULPHONYLPYRROLES AS HDAC INHIBITORS 4SC AG (DE) 2013-05-29 EP disclosed
US-20130079347-A1 NOVEL SULFONYLPYRROLES ALTANA PHARMA AG (DE) 2013-03-28 US disclosed
US-8399505-B2 Sulfonylpyrroles 4SC AG (DE) 2013-03-19 US disclosed
CN-1926103-B Sulfonyl pyrroles as HDAC inhibitors 4SC AG 2012-12-19 CN disclosed
CN-101268070-B Novel sulphonylpyrroles as inhibitors of HDAC novel sulphonylpyrroles NYCOMED GMBH 2012-09-05 CN disclosed
US-8232297-B2 Sulphonylpyrroles as inhibitors of HDACs novel sulphonylpyrroles 4SC AG (DE) 2012-07-31 US disclosed
EP-1878728-A2 Derivatives of piperazine and higher homologues thereof for the treatment of inflammation-related disorders Amgen Inc. (US) 2008-01-16 EP disclosed
US-20070184979-A1 Novel sulfonylpyrroles ALTANA PHARMA AG (DE) 2007-08-09 US disclosed
WO-2007039404-A1 NOVEL SULPHONYLPYRROLES AS INHIBITORS OF HDAC S NOVEL SULPHONYLPYRROLES NYCOMED GMBH (DE) 2007-04-12 WO disclosed
WO-2007039403-A1 SULPHONYLPYRROLE HYDROCHLORIDE SALTS AS HISTONE DEACETYLASES INHIBITORS NYCOMED GMBH (DE) 2007-04-12 WO disclosed
CN-1926103-A Sulfonyl pyrroles as HDAC inhibitors ALTANA PHARMA AG (DE) 2007-03-07 CN disclosed
EP-1725528-A2 SULPHONYLPYRROLES AS HDAC INHIBITORS Altana Pharma AG (DE) 2006-11-29 EP disclosed
CN-1849121-A Piperazine derivatives as bradyknin antagonist AMGEN INC (US) 2006-10-18 CN disclosed
WO-2005087724-A2 SULPHONYLPYRROLES AS HDAC INHIBITORS ALTANA PHARMA AG (DE) 2005-09-22 WO disclosed
EP-1165557-B1 ARYL AND HETEROARYL FUSED AMINOALKYL-IMIDAZOLE DERIVATIVES: SELECTIVE MODULATORS OF GABAa RECEPTORS NEUROGEN CORP (US) 2004-09-29 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 (2 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-20070184979-A1 Novel sulfonylpyrroles HDAC1, HDAC4, HDAC3 OPRK1 4090/4885OPRM1 4071/4885CA2 1671/4885
US-20130079347-A1 NOVEL SULFONYLPYRROLES HDAC3, HDAC1, HDAC2 OPRK1 2617/4885OPRM1 3569/4885CA2 2686/4885

“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.