SCHEMBL3345087

SCHEMBL3345087

CCOC(=O)N1CCC(Nc2ncnc3scc(C)c23)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
RAB9A P51151 2/20 0.59
RXFP1 Q9HBX9 2/20 0.59
NOD2 Q9HC29 1/20 0.59
IRAK4 Q9NWZ3 1/20 0.56
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 1/20 0.52
NOS2 P35228 5/20 0.51
HTT P42858 2/20 0.51
MAPT P10636 2/20 0.51
TSHR P16473 2/20 0.51
NR2F2 P24468 1/20 0.51
NOS1 P29475 4/20 0.50
KMT2A Q03164 2/20 0.50
DRD4 P21917 1/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
NOS3 P29474 2/20 0.49

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
SCHEMBL3404456 0.79 KMT2A (0.72) LMNARAB9ARXFP1ALDH1A1SMN1; SMN2
SCHEMBL1901321 0.77 IRAK4 (0.70) LMNARAB9ARXFP1NOD2IRAK4
SCHEMBL22517470 0.77 IRAK4 (0.56) LMNARAB9AIRAK4ALDH1A1SMN1; SMN2
SCHEMBL29431792 0.77 IRAK4 (0.56) LMNARAB9AIRAK4ALDH1A1SMN1; SMN2
SCHEMBL1902992 0.75 IRAK4 (0.74) LMNARAB9ARXFP1NOD2IRAK4
SCHEMBL1604026 0.74 LMNA (1.00) LMNARAB9ARXFP1NOD2IRAK4
SCHEMBL14965069 0.74 IRAK4 (0.69) LMNARAB9ARXFP1NOD2IRAK4
SCHEMBL21106688 0.72 IRAK4 (1.00) LMNARAB9ARXFP1NOD2IRAK4
SCHEMBL13938567 0.71 NOS2 (0.55) LMNAALDH1A1KDM4ENOS2HTT
SCHEMBL12533560 0.71 BTK (0.55) RAB9ARXFP1IRAK4ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-03-11 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-20100063047-A1 AMINOPYRIMIDINE INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 LMNA 4824/4885RAB9A 2578/4885RXFP1 1901/4885

“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.