SCHEMBL3698902

SCHEMBL3698902

CC(C)(C)OC(=O)N1CC(C/C=C/C#N)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.48
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
NAMPT P43490 1/20 0.41
CTSK P43235 1/20 0.39
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EPHX1 P07099 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
EGLN2 Q96KS0 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.33
PKM P14618 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
SCHEMBL3698903 1.00 NR1H2 (0.48) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL1772647 0.86 EPHX1 (0.46) MEN1ALDH1A1MAPTKMT2ACTSK
SCHEMBL1772649 0.86 EPHX1 (0.46) MEN1ALDH1A1MAPTKMT2ACTSK
SCHEMBL1498949 0.86 EPHX1 (0.46) MEN1ALDH1A1MAPTKMT2ACTSK
SCHEMBL15297793 0.82 NR1H2 (0.53) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL28249030 0.79 NR1H2 (0.50) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL3713776 0.79 NR1H2 (0.55) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL15373107 0.78 NR1H2 (0.46) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL19379912 0.78 NR1H2 (0.44) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL19379913 0.78 NR1H2 (0.44) NR1H2MEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093624-B2 NAMPT and ROCK inhibitors ABBVIE INC. (US) 2018-10-09 US disclosed
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US disclosed
US-20160031880-A1 Nampt and Rock Inhibitors ABBVIE INC. (US) 2016-02-04 US disclosed
EP-2640698-A1 NAMPT AND ROCK INHIBITORS AbbVie Inc. (US) 2013-09-25 EP disclosed
WO-2012067965-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122842-A1 NAMPT AND ROCK INHIBITORS ABBOTT LABORATORIES (US) 2012-05-17 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 (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-10093624-B2 NAMPT and ROCK inhibitors NAMPT, NNMT, NADK NR1H2 1458/4885MEN1 1333/4885ALDH1A1 2558/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 NR1H2 426/4885MEN1 1139/4885ALDH1A1 2689/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 NR1H2 426/4885MEN1 1139/4885ALDH1A1 2689/4885

“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.