SCHEMBL3700178

SCHEMBL3700178

CC(C)(C)OC(=O)N1CCN(c2nc3cc(N)ccc3[nH]2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.55
KCNH2 Q12809 1/20 0.52
MAP4K4 O95819 1/20 0.47
SMARCA2 P51531 1/20 0.47
SMARCA4 P51532 1/20 0.47
PBRM1 Q86U86 1/20 0.47
NR1H2 P55055 1/20 0.46
KIT P10721 2/20 0.45
PARP1 P09874 1/20 0.44
PIK3CA P42336 2/20 0.42
CHEK2 O96017 1/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
PTPN11 Q06124 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTR2B P41595 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL6129010 0.87 NAMPT (0.58) NAMPTKCNH2MAP4K4SMARCA2SMARCA4
SCHEMBL1777998 0.87 NAMPT (0.55) NAMPTKCNH2LMNAMAPTHRH4
SCHEMBL31569825 0.87 KCNH2 (0.57) NAMPTKCNH2MAP4K4SMARCA2SMARCA4
SCHEMBL17109172 0.86 NAMPT (0.55) NAMPTKCNH2MAP4K4KITPARP1
SCHEMBL20767890 0.84 NAMPT (0.64) NAMPTKCNH2PARP1CKS1BSKP1
SCHEMBL3698553 0.83 KCNH2 (0.61) NAMPTKCNH2MAP4K4SMARCA2SMARCA4
SCHEMBL27938349 0.82 HTR2B (0.49) NAMPTPARP1ALDH1A1LMNAMAPT
SCHEMBL15822587 0.82 KCNH2 (0.65) NAMPTKCNH2MAP4K4SMARCA2SMARCA4
SCHEMBL13094481 0.81 MAPT (0.51) NAMPTKCNH2CKS1BSKP1SKP2
SCHEMBL16306683 0.81 NAMPT (0.51) NAMPTKCNH2CKS1BSKP1SKP2

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 4 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
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 1/4885KCNH2 3738/4885MAP4K4 310/4885
US-20120122842-A1 NAMPT AND ROCK INHIBITORS NAMPT, NNMT, NME2 NAMPT 1/4885KCNH2 4559/4885MAP4K4 1085/4885
US-20160031880-A1 Nampt and Rock Inhibitors NAMPT, NNMT, NME2 NAMPT 1/4885KCNH2 4559/4885MAP4K4 1085/4885

“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.