SCHEMBL3064209

SCHEMBL3064209

CCC(=O)NCc1ccc(N2CCC(N3CCCC3)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.45
CXCR3 P49682 1/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ADRA1A P35348 5/20 0.42
CKS1B P61024 1/20 0.42
SKP1 P63208 1/20 0.42
SKP2 Q13309 1/20 0.42
PARP1 P09874 1/20 0.42
HRH3 Q9Y5N1 5/20 0.42
SMO Q99835 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL3060073 0.90 PARP1 (0.51) AOC3CXCR3ALDH1A1KDM4ETDP1
SCHEMBL3061099 0.88 AOC3 (0.55) AOC3ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL3066232 0.87 AOC3 (0.56) AOC3ALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL2826534 0.83 HRH3 (0.46) AOC3CXCR3ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12127778 0.81 L3MBTL3 (0.47) HRH3L3MBTL3
SCHEMBL12942919 0.80 L3MBTL3 (0.46) AOC3HRH3L3MBTL3
SCHEMBL2827886 0.78 HRH3 (0.53) AOC3CXCR3ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2827541 0.77 CXCR3 (0.53) AOC3CXCR3ALDH1A1RAB9ASMN1; SMN2
SCHEMBL12367598 0.76 HTT (0.48) CXCR3ALDH1A1RAB9ASMN1; SMN2NPC1
SCHEMBL2831874 0.74 KDM4E (0.41) CXCR3KDM4EPARP1HRH3SMO

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-20100267697-A1 ION CHANNEL MODULATORS WYETH (US) 2010-10-21 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-20100267697-A1 ION CHANNEL MODULATORS CACNA1E, CACNA1A, CACNA1S AOC3 4426/4885CXCR3 3555/4885ALDH1A1 957/4885

“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.