SCHEMBL6330819

SCHEMBL6330819

NNC(=O)CCC(=O)NC1CCCCN1Cc1ccc(F)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
TSHR P16473 2/20 0.44
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRD1 P41143 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
DDR1 Q08345 1/20 0.39
RAB9A P51151 1/20 0.39
KCNQ2 O43526 1/20 0.38
CHRM1 P11229 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL6328866 0.79 SIGMAR1 (0.70) SIGMAR1ALDH1A1
SCHEMBL3712215 0.74 ALDH1A1 (0.58) SIGMAR1ALDH1A1KDM4ETSHRDPP4
SCHEMBL3712217 0.74 ALDH1A1 (0.58) SIGMAR1ALDH1A1KDM4ETSHRDPP4
SCHEMBL2035950 0.70 IDO1 (0.53) SIGMAR1ALDH1A1KDM4ETSHRHTT
SCHEMBL188635 0.70 IDO1 (0.53) SIGMAR1ALDH1A1KDM4ETSHRHTT
SCHEMBL16254929 0.69 ALDH1A1 (0.61) ALDH1A1KDM4ETSHRHTTMEN1
SCHEMBL6386908 0.68 CCR2 (0.55) SIGMAR1MEN1KMT2A
SCHEMBL27538892 0.68 ACHE (0.43) TSHR
SCHEMBL27512296 0.68 ACHE (0.43) TSHR
SCHEMBL16253053 0.66 ALDH1A1 (0.51) ALDH1A1KDM4ETSHRDPP4DPP8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958350-B2 Chemical compounds ASTRAZENECA AB (SE) 2005-10-25 US disclosed
US-20040102483-A1 Chemical compounds ASTRAZENECA AB (SE) 2004-05-27 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 (1 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-20040102483-A1 Chemical compounds CXCR1, CXCR2, CXCR4 SIGMAR1 269/4885ALDH1A1 684/4885KDM4E 3849/4885

“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.