SCHEMBL3707477

SCHEMBL3707477

O=C(CC1CCC1)N1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ATM Q13315 1/20 0.46
TSHR P16473 1/20 0.46
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
CNR2 P34972 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HSD11B1 P28845 1/20 0.42

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
SCHEMBL3706069 0.96 KDM4E (0.51) NAMPTALDH1A1KDM4EHSD17B10ATM
SCHEMBL3700457 0.96 KDM4E (0.51) NAMPTALDH1A1KDM4EHSD17B10ATM
SCHEMBL12398 0.96 KDM4E (0.51) NAMPTALDH1A1KDM4EHSD17B10ATM
SCHEMBL3704706 0.93 NAMPT (0.55) NAMPTALDH1A1KDM4EHSD17B10ATM
SCHEMBL3704195 0.93 NAMPT (0.50) NAMPTALDH1A1KDM4EHSD17B10ATM
SCHEMBL3698852 0.91 ALDH1A1 (0.51) NAMPTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL3711838 0.91 NAMPT (0.56) NAMPTALDH1A1KDM4EHSD17B10ATM
SCHEMBL18082852 0.84 NAMPT (0.44) NAMPTALDH1A1KDM4EHSD17B10ATM
SCHEMBL30364152 0.84 CA2 (0.47) NAMPTATMTSHRTPSAB1TPSD1
SCHEMBL12593581 0.84 NAMPT (0.47) NAMPTALDH1A1KDM4EHSD17B10ATM

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 1/4885ALDH1A1 2689/4885KDM4E 3173/4885

“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.