SCHEMBL26419219

SCHEMBL26419219

CN1CC2(C1)CN(C(=O)C1CN(C(C)(C)C)C1)C2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
GRM5 P41594 1/20 0.32
HSD11B1 P28845 1/20 0.31
HTT P42858 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHRNB3 Q05901 1/20 0.30
CHRNA6 Q15825 1/20 0.30

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
SCHEMBL26419220 0.86 ATM (0.37) ATMGRM5HSD11B1HRH3CHRNB2
SCHEMBL17886895 0.77 HTT (0.51) ATMHSD11B1HTTHRH3
SCHEMBL26159927 0.75 GRM5 (0.39) GRM5HSD11B1HTTHRH3
SCHEMBL21569675 0.74 GRM5 (0.43) GRM5HSD11B1HTTHRH3
SCHEMBL14805878 0.73 ATM (0.40) ATMHSD11B1HRH3CHRNB2CHRNA3
SCHEMBL14806569 0.72 ATM (0.43) ATMHSD11B1HRH3CHRNB2CHRNA3
SCHEMBL26419181 0.69
SCHEMBL26419253 0.69 ATM (0.37) ATMHSD11B1HRH3CHRNB2CHRNA3
SCHEMBL12730723 0.69 CRHBP (0.37)
SCHEMBL26419221 0.68

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-20230128824-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-04-27 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-20230128824-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUND KRAS, NRAS, HRAS ATM 2907/4885GRM5 3552/4885HSD11B1 604/4885

“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.