SCHEMBL13428655

SCHEMBL13428655

CC(C)c1ccn(CCN2CCOCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL19008979 0.92 MEN1 (0.46) ACHEMEN1KMT2ANPC1RAB9A
SCHEMBL13456606 0.78 POLB (0.44) ACHEALDH1A1SIGMAR1KCNH2
SCHEMBL23468026 0.75 ALDH1A1 (0.47) ACHEMEN1KMT2ANPC1RAB9A
SCHEMBL10308261 0.73 NPC1 (0.33) NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4547889 0.72 SIGMAR1 (0.59) ACHEMEN1KMT2ANPC1RAB9A
SCHEMBL16417106 0.72 ALDH1A1 (0.47) KMT2AALDH1A1KCNH2
SCHEMBL19335631 0.71 POLB (0.48) ALDH1A1SMN1; SMN2SIGMAR1KCNH2
SCHEMBL12090079 0.71 KDM5B (0.47) ACHEMEN1KMT2ANPC1RAB9A
SCHEMBL7769654 0.70 ATM (0.46) ACHEMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21479290 0.70 SIGMAR1 (0.64) MEN1KMT2ANPC1RAB9AALDH1A1

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-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH (US) 2010-03-18 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-20100068204-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS MTOR, RICTOR, PIK3CA ACHE 4843/4885MEN1 2648/4885KMT2A 2445/4885

“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.