SCHEMBL4403149

SCHEMBL4403149

COCC(=O)N1CCC(c2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.47
LIPE Q05469 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
PKM P14618 1/20 0.46
GRM5 P41594 1/20 0.46
TLR9 Q9NR96 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
CYP2C9 P11712 2/20 0.44
SLC9A1 P19634 1/20 0.44
CYP2C19 P33261 1/20 0.44
TP53 P04637 1/20 0.44
SOS1 Q07889 1/20 0.43
CYP3A4 P08684 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL4402412 0.86 RORC (0.43) TSHRKMT2AMEN1PKMNPC1
SCHEMBL4402416 0.85 LIPE (0.50) NAMPTLIPETSHRKMT2AMEN1
SCHEMBL16994776 0.85 MAPT (0.50) NAMPTLIPETSHRKMT2AMEN1
SCHEMBL4403152 0.82 LIPE (0.48) NAMPTLIPETSHRKMT2AMEN1
SCHEMBL19076249 0.81 ALDH1A1 (0.56) TSHRKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL4402422 0.80 LIPE (0.47) NAMPTLIPEKMT2AMEN1TLR9
SCHEMBL4402414 0.80 QDPR (0.59) LIPEKMT2AMEN1TP53SMN1; SMN2
SCHEMBL4407036 0.78 NAMPT (0.60) NAMPTLIPEKMT2APKMALDH1A1
SCHEMBL2227201 0.77 ENPP2 (0.54) NAMPTGRM5TLR9TLR8TLR7
SCHEMBL4404007 0.76 MEN1 (0.54) NAMPTLIPETSHRKMT2AMEN1

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 NAMPT 6/4885LIPE 2549/4885TSHR 3127/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK NAMPT 6/4885LIPE 2549/4885TSHR 3127/4885

“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.