SCHEMBL351041

SCHEMBL351041

CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2.O=C1O[C@]2(CCNC2)c2ccncc21

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

CHRNA3CHRNB4PARP1PARP2PARP3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 known ✓ P09874 1/20 0.39
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
NAMPT P43490 1/20 0.41
KMT2A Q03164 2/20 0.39
F2 P00734 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
CXCR3 P49682 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA5A P35218 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL347961 0.89 CYP1A2 (0.49) CYP1A2CYP2C19CYP2D6CYP2C9KMT2A
SCHEMBL4184367 0.89 CYP1A2 (0.49) CYP1A2CYP2C19CYP2D6CYP2C9KMT2A
SCHEMBL349859 0.89 CYP1A2 (0.49) CYP1A2CYP2C19CYP2D6CYP2C9KMT2A
SCHEMBL350514 0.89 CYP1A2 (0.49) CYP1A2CYP2C19CYP2D6CYP2C9KMT2A
SCHEMBL4512386 0.89 CYP1A2 (0.49) CYP1A2CYP2C19CYP2D6CYP2C9KMT2A
SCHEMBL349792 0.89 CYP1A2 (0.49) CYP1A2CYP2C19CYP2D6CYP2C9KMT2A
SCHEMBL349274 0.89 CYP1A2 (0.49) CYP1A2CYP2C19CYP2D6CYP2C9KMT2A
SCHEMBL349194 0.89 CYP1A2 (0.49) CYP1A2CYP2C19CYP2D6CYP2C9KMT2A
SCHEMBL351167 0.76 HSD11B1 (0.44)
SCHEMBL3970125 0.76 HSD11B1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957229-B2 Amido compounds and their use as pharmaceuticals INCYTE HOLDINGS CORPORATION (US) 2018-05-01 US disclosed
US-20170334847-A1 Amido Compounds And Their Use As Pharmaceuticals INCYTE CORPORATION 2017-11-23 US disclosed
US-9670154-B2 Amido compounds and their use as pharmaceuticals INCYTE HOLDINGS CORPORATION (US) 2017-06-06 US disclosed
EP-2963021-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Holdings Corporation (US) 2016-01-06 EP disclosed
US-20150329561-A1 Amido Compounds And Their Use As Pharmaceuticals INCYTE CORPORATION 2015-11-19 US disclosed
US-9126927-B2 Amido compounds and their use as pharmaceuticals INCYTE HOLDINGS CORPORATION (US) 2015-09-08 US disclosed
EP-1756063-B1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-07-08 EP disclosed
US-20120015928-A1 Amido Compounds And Their Use As Pharmaceuticals INCYTE CORPORATION (US) 2012-01-19 US disclosed
US-8058288-B2 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2011-11-15 US disclosed
US-20100256114-A1 Amido Compounds And Their Use As Pharmaceuticals INCYTE CORPORATION (US) 2010-10-07 US disclosed
US-7776874-B2 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2010-08-17 US disclosed
US-20080255154-A1 Cycloalkylcarbonyl-3H-spiro[2-benzofuran-1,3'-pyrrolidin]-3-ones: N-methyl-5-[4-(1-{[3-oxo-1'H,3H-spiro[2-benzofuran-1,3'-pyrrolidin]-1'-yl]carbonyl}cyclopropyl)phenyl]pyridine-2-carboxamide; 11- beta hydroxyl steroid dehydrogenase type 1 inhibitors; mineralcorticoid receptor antagonists; diabetes INCYTE CORPORATION (US) 2008-10-16 US disclosed
US-7304081-B2 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2007-12-04 US disclosed
US-20070179142-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2007-08-02 US disclosed
US-20050282858-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-22 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 (7 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-20170334847-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 PARP1 2530/4885CYP1A2 174/4885CYP2C19 194/4885
US-20100256114-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 PARP1 2530/4885CYP1A2 174/4885CYP2C19 194/4885
US-20050282858-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 PARP1 2530/4885CYP1A2 174/4885CYP2C19 194/4885
US-20120015928-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 PARP1 2530/4885CYP1A2 174/4885CYP2C19 194/4885
US-20080255154-A1 Cycloalkylcarbonyl-3H-spiro[2-benzofuran-1,3'-pyrrolidin]-3-ones: N-methyl-5-[4-(1-{[3-oxo-1'H,3H-spiro[2-benzofuran-1,3'-pyrrolidin]-1'-yl]carbonyl}cyclopropyl)phenyl]pyridine-2-carboxamide; 11- beta hydroxyl steroid dehydrogenase type 1 inhibitors; mineralcorticoid receptor antagonists; diabetes HSD11B1, NR3C2, SRD5A1 PARP1 1021/4885CYP1A2 138/4885CYP2C19 335/4885
US-20150329561-A1 Amido Compounds And Their Use As Pharmaceuticals HSD11B1, CYP11B1, HSD11B2 PARP1 2530/4885CYP1A2 174/4885CYP2C19 194/4885
US-20070179142-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 PARP1 2530/4885CYP1A2 174/4885CYP2C19 194/4885

“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.