SCHEMBL3702941

SCHEMBL3702941

CC(C)CC(=O)N(CCCCNC(=O)OC(C)(C)C)Cc1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.61
GAA P10253 3/20 0.45
POLB P06746 1/20 0.45
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
KCNQ4 P56696 3/20 0.41
KCNQ5 Q9NR82 3/20 0.41
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE6D O43924 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
LMNA P02545 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
BRD4 O60885 1/20 0.37
CA14 Q9ULX7 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
SCHEMBL3707453 0.85 NAMPT (0.68) NAMPTGAAPOLBHPGDTDP1
SCHEMBL31687499 0.78 SIGMAR1 (0.58) GAAPOLBKCNQ4KCNQ5TDP1
SCHEMBL3710417 0.77 NAMPT (0.58) NAMPTGAAPOLBHPGDTDP1
SCHEMBL3437047 0.77 GAA (0.56) NAMPTGAAPOLBCTSSCTSK
SCHEMBL3699732 0.76 NAMPT (1.00) NAMPT
SCHEMBL31687548 0.76 ACKR3 (0.53) GAAPOLBCTSSCTSKKCNQ4
SCHEMBL14610069 0.76 TDP1 (0.46) NAMPTGAAPOLBCTSSKCNQ4
SCHEMBL3707469 0.74 CHRM2 (0.54) GAAPOLBCTSSCTSKHPGD
SCHEMBL18089399 0.73 ALDH1A1 (0.50) HPGDTDP1KMT2AMEN1CA1
SCHEMBL8647499 0.73 HDAC3 (0.53) CTSSTDP1KMT2AMEN1CA14

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 NAMPT 1/4885GAA 1560/4885POLB 2600/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 NAMPT 1/4885GAA 481/4885POLB 2278/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 NAMPT 1/4885GAA 481/4885POLB 2278/4885

“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.