SCHEMBL3123233

SCHEMBL3123233

CCN(CC)CCNc1[c]cccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.45
PIM1 P11309 1/20 0.45
IDO1 P14902 1/20 0.45
LTK P29376 1/20 0.45
LIMK1 P53667 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
KAT2B Q92831 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CACNA2D1 P54289 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RCE1 Q9Y256 1/20 0.36
PARP1 P09874 1/20 0.36
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
APAF1 O14727 1/20 0.35

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
SCHEMBL3121857 0.90 MAPT (0.46) SIGMAR1ALDH1A1CACNA2D1MAPTTSHR
SCHEMBL3122170 0.82 CYP2C19 (0.46) KAT2BHTTNPC1RAB9AHRH3
SCHEMBL2182651 0.80 IDO1 (0.38) IDO1SIGMAR1KDM4EALDH1A1HPGD
SCHEMBL2328585 0.77 ALDH1A1 (0.40) KDM4EALDH1A1LMNAHTTMAPT
SCHEMBL3123962 0.76 NPC1 (0.46) ALDH1A1NPC1RAB9ADRD3
SCHEMBL343994 0.75
SCHEMBL1414746 0.75 KCNH3 (0.42) SIGMAR1KDM4EALDH1A1LMNAHTT
SCHEMBL2874809 0.74 LMNA (0.42) SIGMAR1ALDH1A1LMNAHTTMAPT
SCHEMBL8668610 0.74 LMNA (0.42) SIGMAR1ALDH1A1LMNAHTTMAPT
SCHEMBL6131249 0.74 LMNA (0.42) SIGMAR1ALDH1A1LMNAHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO claimed
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO disclosed
US-20010012899-A1 Oligomeric methine dyes CLARIANT FINANCE ( BVI) LIMITED 2001-08-09 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-20010012899-A1 Oligomeric methine dyes INMT, DDT, DDC CHEK1 2837/4885PIM1 3065/4885IDO1 281/4885

“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.