SCHEMBL5046593

SCHEMBL5046593

OCCNC[C@@H]1CCCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.34
FDPS P14324 2/20 0.33
CYP2D6 P10635 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
MLNR O43193 1/20 0.32
ABCB11 O95342 1/20 0.32
EGFR P00533 1/20 0.32
FYN P06241 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 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
SCHEMBL29876705 0.94 FDPS (0.40) FDPSCYP2D6MEN1ALDH1A1LMNA
SCHEMBL13355756 0.83 SAT1 (0.36) CYP2D6MEN1ALDH1A1LMNATP53
SCHEMBL22113935 0.83 TSHR (0.32) MEN1TSHRKMT2A
SCHEMBL10867271 0.81 CYP2D6 (0.44) FDPSCYP2D6MEN1ALDH1A1LMNA
SCHEMBL19415302 0.80 IDO1 (0.35) CYP2D6MEN1ALDH1A1LMNATP53
SCHEMBL4368185 0.80 GNAI3 (0.36) CYP2D6MEN1ALDH1A1LMNATP53
SCHEMBL15372476 0.80 GNAI3 (0.36) CYP2D6MEN1ALDH1A1LMNATP53
SCHEMBL488620 0.79 FDPS (0.35) IKBKBFDPSCYP2D6MEN1ALDH1A1
SCHEMBL488621 0.79 FDPS (0.35) IKBKBFDPSCYP2D6MEN1ALDH1A1
SCHEMBL6321401 0.79 FDPS (0.35) IKBKBFDPSCYP2D6MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7407946-B2 Quinazoline compounds ASTRAZENECA AB (SE) 2008-08-05 US disclosed
US-20060058523-A1 Quinazoline compounds ASTRAZENECA AB (SE) 2006-03-16 US disclosed
EP-1575946-A1 QUINAZOLINE COMPOUNDS AstraZeneca AB (SE) 2005-09-21 EP disclosed
WO-2004058752-A1 QUINAZOLINE COMPOUNDS ASTRAZENECA AB (SE) 2004-07-15 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 (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-20060058523-A1 Quinazoline compounds NDUFS5, ABL1, NDUFS7 IKBKB 2277/4885FDPS 659/4885CYP2D6 62/4885

“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.