SCHEMBL3707453

SCHEMBL3707453

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

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.68
HPGD P15428 2/20 0.45
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 1/20 0.42
ACKR3 P25106 2/20 0.42
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
GAA P10253 1/20 0.42
PDE6D O43924 1/20 0.41
REN P00797 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CCR3 P51677 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3702941 0.85 NAMPT (0.61) NAMPTHPGDKMT2AGAAPDE6D
SCHEMBL3710417 0.83 NAMPT (0.58) NAMPTHPGDGAAPDE6DPOLB
SCHEMBL3699732 0.81 NAMPT (1.00) NAMPT
SCHEMBL10466773 0.71 CNR2 (0.54) NAMPTHPGDALDH1A1GAAREN
SCHEMBL5332700 0.71 TSHR (0.56) NAMPTHPGDKMT2AALDH1A1ACKR3
SCHEMBL28805745 0.68 CHRM2 (0.66) ALDH1A1LMNAPOLB
SCHEMBL8328142 0.68 HDAC1 (0.47) NAMPTALDH1A1ACKR3TMEM97SIGMAR1
SCHEMBL27719387 0.67 TMEM97 (0.60) NAMPTKMT2AACKR3TMEM97SIGMAR1
SCHEMBL23607906 0.67 HDAC1 (0.44) KMT2AALDH1A1ACKR3TMEM97SIGMAR1
SCHEMBL8325252 0.67 HDAC1 (0.46) ALDH1A1ACKR3TMEM97SIGMAR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9302989-B2 NAMPT and rock inhibitors ABBVIE INC. (US) 2016-04-05 US 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 (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-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 NAMPT 1/4885HPGD 132/4885KMT2A 2025/4885

“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.