SCHEMBL3715161

SCHEMBL3715161

N#Cc1ccc2cn(C(=O)NCCCCC3CCNCC3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.52
SLC6A2 P23975 4/20 0.44
SLC6A4 P31645 4/20 0.44
SLC6A3 Q01959 2/20 0.44
HTR3A P46098 1/20 0.42
KCNH2 Q12809 1/20 0.42
ROCK2 O75116 1/20 0.40
CCR3 P51677 1/20 0.38
PRMT3 O60678 1/20 0.37
BRD4 O60885 1/20 0.36
CHRM4 P08173 2/20 0.36
ITGB3 P05106 2/20 0.35
ITGA2B P08514 2/20 0.35

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
SCHEMBL3715162 0.79 NAMPT (0.72) NAMPT
SCHEMBL3706368 0.74 NAMPT (0.51) NAMPT
SCHEMBL3709722 0.69 NAMPT (1.00) NAMPT
SCHEMBL3701175 0.67 NAMPT (0.47) NAMPTSLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL6123085 0.66 NAMPT (0.73) NAMPT
SCHEMBL566588 0.66 F2 (0.44)
SCHEMBL27008555 0.66 NAMPT (0.55) NAMPTPRMT3ITGB3ITGA2B
SCHEMBL2555567 0.65 ITGB3 (0.62) NAMPTCCR3BRD4ITGB3ITGA2B
SCHEMBL27166506 0.64 NAMPT (0.53) NAMPTPRMT3ITGB3ITGA2B
SCHEMBL3706085 0.64 NAMPT (0.76) NAMPT

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 1/4885SLC6A2 1254/4885SLC6A4 1807/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 NAMPT 1/4885SLC6A2 853/4885SLC6A4 1847/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 NAMPT 1/4885SLC6A2 853/4885SLC6A4 1847/4885

“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.