SCHEMBL3318840

SCHEMBL3318840

COCCN1CCN(CC[O])CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.45
TDP1 Q9NUW8 1/20 0.36
GBA1 P04062 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.34
DRD3 P35462 3/20 0.34
SLC29A1 Q99808 1/20 0.34
MAP4K4 O95819 1/20 0.34
NAMPT P43490 1/20 0.34
KDM2B Q8NHM5 1/20 0.33
KDM1A O60341 1/20 0.33
DRD2 P14416 1/20 0.33
ACHE P22303 1/20 0.32

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
SCHEMBL4893194 0.87 HSD11B1 (0.47) HSD11B1TDP1GBA1MEN1KMT2A
SCHEMBL6057032 0.87
SCHEMBL8149011 0.87 HSD11B1 (0.47) HSD11B1TDP1GBA1MEN1KMT2A
SCHEMBL3451890 0.86 HSD11B1 (0.42) HSD11B1TDP1GBA1MEN1KMT2A
SCHEMBL6945807 0.86 ALDH1A1 (0.38) HSD11B1TDP1MEN1KMT2AALDH1A1
SCHEMBL16938964 0.81 HSD11B1 (0.41) HSD11B1TDP1GBA1MEN1KMT2A
SCHEMBL16803203 0.81 HSD11B1 (0.41) HSD11B1TDP1GBA1MEN1KMT2A
SCHEMBL16622424 0.81 HSD11B1 (0.41) HSD11B1TDP1GBA1MEN1KMT2A
SCHEMBL84800 0.80 HSD11B1 (0.43) HSD11B1GBA1MEN1KMT2AALDH1A1
SCHEMBL5241070 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 US disclosed
US-20070088044-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-19 US disclosed
US-20050054662-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-03-10 US disclosed
EP-1444211-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040109-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 WO 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 (3 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-20050054662-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 HSD11B1 4758/4885TDP1 2237/4885GBA1 3428/4885
US-20070088044-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 HSD11B1 4783/4885TDP1 2562/4885GBA1 3407/4885
US-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS HSD11B1 1067/4885TDP1 790/4885GBA1 1056/4885

“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.