SCHEMBL978091

SCHEMBL978091

CCOC(=O)N1CCC(Cl)=C(C=O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
POLB P06746 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GRM5 P41594 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 2/20 0.40
PABPC1 P11940 1/20 0.40
ATM Q13315 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 1/20 0.39
CACNA1C Q13936 1/20 0.39
SCN5A Q14524 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL11181094 0.91 ALDH1A1 (0.41) ALDH1A1POLBHTTSMN1; SMN2GRM5
SCHEMBL11171177 0.89 ALDH1A1 (0.47) ALDH1A1POLBHTTSMN1; SMN2GRM5
SCHEMBL4752592 0.87 SMN1; SMN2 (0.47) ALDH1A1POLBSMN1; SMN2GRM5CYP3A4
SCHEMBL1957009 0.82 ESR2 (0.49) ALDH1A1POLBSMN1; SMN2MAPTKDM4E
SCHEMBL3441434 0.81 MEN1 (0.50) ALDH1A1SMN1; SMN2MAPTGAAKMT2A
SCHEMBL7985767 0.78 SMN1; SMN2 (0.42) ALDH1A1POLBHTTSMN1; SMN2GRM5
SCHEMBL568818 0.76 TSHR (0.47) ALDH1A1POLBHTTSMN1; SMN2MAPT
SCHEMBL7992501 0.75 TSHR (0.41) ALDH1A1POLBHTTSMN1; SMN2GRM5
SCHEMBL7988450 0.74 ALDH1A1 (0.40) ALDH1A1POLBHTTSMN1; SMN2GRM5
SCHEMBL11180191 0.74 TMEM97 (0.50) SMN1; SMN2KMT2AMEN1RAB9A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
US-8440830-B2 Tetrahydro-fused pyridines as histone deacetylase inhibitors 4SC AG (DE) 2013-05-14 US disclosed
EP-2197552-B1 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2012-11-21 EP disclosed
US-8268814-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2011-01-27 US disclosed
EP-2260043-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal Gmbh (DE) 2010-12-15 EP disclosed
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP disclosed
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2009-11-05 US disclosed
WO-2009124746-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 WO disclosed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 WO disclosed
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 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-20110021494-A1 NOVEL TETRAHYDRO-FUSED PYRIDINES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC3 ALDH1A1 912/4885POLB 1365/4885HTT 1529/4885
US-20090275558-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS BDKRB2, BDKRB1, TRPV1 ALDH1A1 2173/4885POLB 4558/4885HTT 3957/4885

“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.