SCHEMBL4404601

SCHEMBL4404601

CC(C)(C)c1ccc(C2CCN(C(=O)C3CCOCC3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.61
MAPT P10636 1/20 0.59
NAMPT P43490 7/20 0.57
LIPE Q05469 1/20 0.49
EPHX2 P34913 1/20 0.48
DGAT1 O75907 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MGLL Q99685 1/20 0.46
TLR9 Q9NR96 1/20 0.46
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46

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
SCHEMBL16994778 0.85 NAMPT (0.60) MAPTNAMPTLIPEDGAT1ALDH1A1
SCHEMBL4672899 0.83 NAMPT (0.61) NAMPTEPHX2DGAT1ALDH1A1TLR9
SCHEMBL26742949 0.81 MGLL (0.50) CNR2LIPEALDH1A1MEN1KMT2A
SCHEMBL4402414 0.79 QDPR (0.59) MAPTLIPEEPHX2ALDH1A1MEN1
SCHEMBL4402787 0.78 SLC6A2 (0.44) CNR2MAPTLIPEALDH1A1
SCHEMBL23873327 0.77 MEN1 (0.43) CNR2LIPEMEN1KMT2AMGLL
SCHEMBL15317752 0.76 SLC18A3 (0.44) MAPTLIPETLR9TLR8TLR7
SCHEMBL10257746 0.76 CNR2 (1.00) CNR2MAPTALDH1A1
SCHEMBL23873286 0.76 MGLL (0.55) LIPEMGLL
SCHEMBL4402774 0.75 ALDH1A1 (0.49) CNR2MAPTLIPEALDH1A1MEN1

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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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 (2 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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK CNR2 946/4885MAPT 4633/4885NAMPT 6/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK CNR2 946/4885MAPT 4633/4885NAMPT 6/4885

“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.