SCHEMBL1963140

SCHEMBL1963140

COc1ccc(CN2CC3(CCCN(C(=O)OC(C)(C)C)C3)CCC2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.49
CYP3A4 P08684 15/20 0.48
CYP2C19 P33261 6/20 0.48
CYP2C9 P11712 5/20 0.48
ALDH1A1 P00352 7/20 0.47
CYP1A2 P05177 7/20 0.47
CYP2D6 P10635 5/20 0.47
HPGD P15428 3/20 0.47
TSHR P16473 3/20 0.47
USP2 O75604 4/20 0.46
HIF1A Q16665 1/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL22770534 0.82 ALDH1A1 (0.46) CYP3A4CYP2C9ALDH1A1CYP1A2CYP2D6
SCHEMBL1963123 0.82 HDAC1 (0.43) CYP3A4CYP2C19CYP2C9ALDH1A1CYP1A2
SCHEMBL30801697 0.81 HDAC1 (0.45) CYP3A4ALDH1A1CYP1A2CYP2D6HPGD
SCHEMBL5423537 0.80 HDAC1 (0.44) CYP3A4ALDH1A1CYP1A2CYP2D6HPGD
SCHEMBL29967631 0.78 ALDH1A1 (0.55) CYP3A4ALDH1A1GAAL3MBTL1
SCHEMBL8294396 0.77 MMP1 (0.47) CYP3A4ALDH1A1GAAL3MBTL1
SCHEMBL18821256 0.77 OPRM1 (0.45) CYP3A4CYP2C19CYP2C9ALDH1A1CYP2D6
SCHEMBL12543528 0.77 HDAC1 (0.51) ALDH1A1GAAL3MBTL1
SCHEMBL17761442 0.76 HDAC1 (0.54) ALDH1A1GAAL3MBTL1
SCHEMBL2262766 0.75 CYP3A4 (0.52) CYP3A4ALDH1A1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160159800-A1 MK2 INHIBITORS N.V. ORGANON (NL) 2016-06-09 US disclosed
US-9102676-B2 MK2 inhibitors MERCK SHARP & DOHME B.V. (NL) 2015-08-11 US disclosed
US-20140288109-A1 MK2 INHIBITORS N.V. ORGANON (NL) 2014-09-25 US disclosed
US-8772286-B2 MK2 inhibitors MERCK SHARP & DOHME B.V. (NL) 2014-07-08 US disclosed
EP-2513111-B1 MK2 INHIBITORS MERCK SHARP & DOHME (NL) 2013-10-02 EP disclosed
EP-2513111-A1 MK2 INHIBITORS MSD Oss B.V. (NL) 2012-10-24 EP disclosed
US-20120245175-A1 MK2 INHIBITORS N.V. ORGANON (NL) 2012-09-27 US disclosed
WO-2011073119-A1 MK2 INHIBITORS N.V. ORGANON (NL) 2011-06-23 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 (3 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-20140288109-A1 MK2 INHIBITORS MKNK2, MAPKAPK2, MAP3K2 AADAT 1792/4885CYP3A4 4621/4885CYP2C19 3065/4885
US-20160159800-A1 MK2 INHIBITORS MKNK2, MAPKAPK2, MAP3K2 AADAT 1875/4885CYP3A4 4747/4885CYP2C19 3504/4885
US-20120245175-A1 MK2 INHIBITORS MKNK2, MAPKAPK2, MAP3K2 AADAT 1792/4885CYP3A4 4621/4885CYP2C19 3065/4885

“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.