SCHEMBL4403152

SCHEMBL4403152

CN(C)CC(=O)N1CCC(c2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.48
NAMPT P43490 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
TLR9 Q9NR96 10/20 0.46
TLR8 Q9NR97 10/20 0.46
TLR7 Q9NYK1 10/20 0.46
TSHR P16473 1/20 0.45
RET P07949 1/20 0.43
SOS1 Q07889 1/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
CNR2 P34972 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
SCHEMBL4402416 0.86 LIPE (0.50) LIPENAMPTCYP3A4CYP2C9TLR9
SCHEMBL16994796 0.84 TLR9 (0.51) LIPETLR9TLR8TLR7TSHR
SCHEMBL3527556 0.83 TLR7 (0.47) NAMPTCYP3A4CYP2C9TLR9TLR8
SCHEMBL4404007 0.83 MEN1 (0.54) LIPENAMPTTSHRTP53MEN1
SCHEMBL4403149 0.82 NAMPT (0.47) LIPENAMPTCYP3A4CYP2C9TLR9
SCHEMBL4402422 0.81 LIPE (0.47) LIPENAMPTCYP3A4CYP2C9TLR9
SCHEMBL4402414 0.81 QDPR (0.59) LIPETP53MEN1KMT2ALMNA
SCHEMBL12928763 0.81 TRPC6 (0.43) TLR9TLR8TLR7TSHR
SCHEMBL11916169 0.79 MAPT (0.54) TSHRTP53MEN1KMT2ALMNA
SCHEMBL3534489 0.78 NAMPT (0.53) NAMPTCYP3A4CYP2C9TLR9TLR8

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 LIPE 2549/4885NAMPT 6/4885CYP3A4 639/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK LIPE 2549/4885NAMPT 6/4885CYP3A4 639/4885

“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.