SCHEMBL9975294

SCHEMBL9975294

CCCN1CC[C@@H](OC(N)=O)C1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
BCHE P06276 1/20 0.40
PARP1 P09874 1/20 0.40
CHRM3 P20309 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM2B Q8NHM5 4/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL28249239 1.00 ATM (0.42) ATMBCHEPARP1CHRM3SMN1; SMN2
SCHEMBL3696868 0.90 BCHE (0.48) BCHEPARP1SMN1; SMN2KDM2BCYP2D6
SCHEMBL3687879 0.90 BCHE (0.48) BCHEPARP1SMN1; SMN2KDM2BCYP2D6
SCHEMBL26088863 0.86 SMN1; SMN2 (0.50) ATMBCHECHRM3SMN1; SMN2CYP2D6
SCHEMBL28249223 0.84 ATM (0.40) ATMPARP1CHRM3SMN1; SMN2CYP2D6
SCHEMBL6961255 0.84 ATM (0.40) ATMPARP1CHRM3SMN1; SMN2CYP2D6
SCHEMBL28972352 0.81 CHRM2 (0.40) ATMBCHECHRM3
SCHEMBL29103884 0.81 CHRM2 (0.40) ATMBCHECHRM3
SCHEMBL27762899 0.80 CHRM3 (0.49) BCHECHRM3
SCHEMBL27675066 0.79 SMN1; SMN2 (0.58) ATMBCHECHRM3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 ATM 373/4885BCHE 3782/4885PARP1 4455/4885

“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.