SCHEMBL3428787

SCHEMBL3428787

CN1CCN(CC[O])[C@@H](CO)C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
SPHK2 Q9NRA0 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
BRD4 O60885 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA9 Q16790 2/20 0.31

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
SCHEMBL3429290 1.00 SIGMAR1 (0.36) SIGMAR1SPHK2SPHK1BRD4CA1
SCHEMBL3426954 0.89 SIGMAR1 (0.35) SIGMAR1SPHK2SPHK1BRD4
SCHEMBL3428790 0.84 SIGMAR1 (0.41) SIGMAR1SPHK2SPHK1BRD4CA1
SCHEMBL3429294 0.84 SIGMAR1 (0.41) SIGMAR1SPHK2SPHK1BRD4CA1
SCHEMBL21210556 0.82 GAA (0.42) SIGMAR1SPHK2SPHK1
SCHEMBL3426958 0.81 SIGMAR1 (0.39) SIGMAR1SPHK2SPHK1
SCHEMBL24319356 0.80 SIGMAR1 (0.38) SIGMAR1SPHK2SPHK1BRD4
SCHEMBL19072490 0.80 SIGMAR1 (0.38) SIGMAR1SPHK2SPHK1BRD4
SCHEMBL24319162 0.80 SIGMAR1 (0.38) SIGMAR1SPHK2SPHK1BRD4
SCHEMBL25141784 0.79 GBA2 (0.45) SPHK2SPHK1

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
US-7691867-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-04-06 US disclosed
EP-1613619-B1 QUINAZOLINE DERIVATIVES FOR TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-03-26 EP disclosed
US-20060270692-A1 Chemical compounds ASTRAZENECA AB (SE) 2006-11-30 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-20060270692-A1 Chemical compounds CCNI, MKI67, TP53 SIGMAR1 3443/4885SPHK2 2879/4885SPHK1 2758/4885

“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.