SCHEMBL1733539

SCHEMBL1733539

CCN(CC)c1nc(C(N)=O)cc(-c2cc(C(C)C)ccc2OC)n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
FYN P06241 1/20 0.43
ADORA3 P0DMS8 3/20 0.36
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
ADORA1 P30542 2/20 0.36
CRHR1 P34998 2/20 0.36
CTSA P10619 6/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
CETP P11597 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1734502 0.86 KDM4E (0.57) KDM4EADORA3ALDH1A1L3MBTL1
SCHEMBL1733524 0.85 KDM4E (0.56) KDM4EALDH1A1L3MBTL1
SCHEMBL1733458 0.85 KDM4E (0.56) KDM4EADORA3ADORA1CTSAL3MBTL1
SCHEMBL1734511 0.83 KDM4E (0.66) KDM4EADORA3ADORA1CRHR1ALDH1A1
SCHEMBL1733472 0.81 KDM4E (0.73) KDM4ECRHR1ALDH1A1L3MBTL1
SCHEMBL1733602 0.80 KDM4E (0.67) KDM4EADORA3ALDH1A1L3MBTL1
SCHEMBL1733534 0.79 KDM4E (0.57) KDM4EADORA3CRHR1ALDH1A1L3MBTL1
SCHEMBL1734279 0.78 KDM4E (0.64) KDM4EADORA3ADORA1CRHR1ALDH1A1
SCHEMBL1733468 0.77 KDM4E (0.57) KDM4EADORA3ADORA1CRHR1ALDH1A1
SCHEMBL1734377 0.75 ALDH1A1 (0.60) KDM4EFYNBCHEACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822451-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US claimed
EP-1891018-B1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2011-11-16 EP claimed
WO-2011131686-A1 A THERMALLY CONTROLLED ASSEMBLY NAPATECH A/S (DK) 2011-10-27 WO claimed
EP-1891018-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals, Inc. (US) 2008-02-27 EP claimed
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 US claimed
WO-2006127588-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-30 WO claimed
US-8822451-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US disclosed
US-8822451-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US disclosed
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 US disclosed
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 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 (1 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-20070105833-A1 Modulators of ATP-binding cassette transporters ABCC4, CFTR, ABCC2 KDM4E 3910/4885FYN 4799/4885ADORA3 138/4885

“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.