SCHEMBL26419322

SCHEMBL26419322

CN1CCCC12CCN(C(C)(C)C)CC2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
OPRM1 P35372 1/20 0.37
GRIN1 Q05586 1/20 0.37
KCNH2 Q12809 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
SOS1 Q07889 1/20 0.36
SOS2 Q07890 1/20 0.36

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
SCHEMBL12563430 0.89 GRIN2D (0.41) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL12268288 0.88 SOS1 (0.34) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL17886522 0.83 SOS1 (0.36) SOS1SOS2
SCHEMBL20148741 0.82 SOS1 (0.37) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL20148742 0.79 GRIN2D (0.41) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL23555264 0.79 SOS1 (0.34) SOS1SOS2
SCHEMBL13035865 0.78 GRIN2D (0.37) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL14962053 0.78 SOS1 (0.52) SOS1SOS2
SCHEMBL14962054 0.78
SCHEMBL12314024 0.78

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-20230128824-A1 SPIRO RING-CONTAINING QUINAZOLINE COMPOUND Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-04-27 US disclosed
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 GRIN2D 4123/4885GRIN3B 4029/4885CHRM2 4610/4885

“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.