SCHEMBL762466

SCHEMBL762466

CCC(=O)N1CCN(c2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.58
KDM4E B2RXH2 2/20 0.57
LMNA P02545 1/20 0.57
ALDH1A1 P00352 4/20 0.56
HTT P42858 1/20 0.56
GFER P55789 1/20 0.55
MAPK1 P28482 3/20 0.54
USP2 O75604 1/20 0.54
TP53 P04637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
ME2 P23368 2/20 0.52
ME1 P48163 2/20 0.52
ME3 Q16798 2/20 0.52
NAMPT P43490 1/20 0.52
NPC1 O15118 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL4507048 0.88 ME2 (0.56) MAPTKDM4ELMNAALDH1A1MAPK1
SCHEMBL946765 0.86 ALDH1A1 (0.57) MAPTKDM4ELMNAALDH1A1HTT
SCHEMBL25787372 0.86 ME2 (0.65) MAPTALDH1A1MAPK1ME2ME1
SCHEMBL11916169 0.84 MAPT (0.54) MAPTKDM4ELMNAALDH1A1HTT
SCHEMBL17855987 0.84 ALDH1A1 (0.60) MAPTKDM4ELMNAALDH1A1HTT
SCHEMBL9987696 0.84 ALDH1A1 (0.58) MAPTKDM4ELMNAALDH1A1HTT
SCHEMBL17322976 0.82 POLB (0.57) MAPTLMNAALDH1A1HTTPOLB
SCHEMBL14524661 0.82 MAPT (0.67) MAPTKDM4ELMNAMAPK1ME2
SCHEMBL270845 0.82 MAPT (0.74) MAPTKDM4ELMNAALDH1A1HTT
SCHEMBL16994768 0.82 MEN1 (0.63) MAPTKDM4ELMNAALDH1A1HTT

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 5 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-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 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 MAPT 4633/4885KDM4E 1791/4885LMNA 2451/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK MAPT 4633/4885KDM4E 1791/4885LMNA 2451/4885

“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.