SCHEMBL26053286

SCHEMBL26053286

COC[C@]1(C)CCN(C(C)=O)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 3/20 0.35
CYP2D6 P10635 7/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP2C19 P33261 2/20 0.34
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 3/20 0.34
TSHR P16473 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
CYP2C9 P11712 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 2/20 0.32
HSD17B10 Q99714 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
SCHEMBL25708743 1.00 CYP4F2 (0.40) CYP4F2CYP4A11SMN1; SMN2USP2CYP2D6
SCHEMBL23512796 0.90 CYP2D6 (0.39) CYP4F2CYP4A11SMN1; SMN2USP2CYP2D6
SCHEMBL26053291 0.89 CYP1A2 (0.39) SMN1; SMN2USP2CYP2D6ALDH1A1CYP2C19
SCHEMBL24615831 0.85 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1CYP1A2TDP1
SCHEMBL12372529 0.80 USP2 (0.42) CYP4F2CYP4A11SMN1; SMN2USP2
SCHEMBL13819676 0.79 SMN1; SMN2 (0.39) CYP4F2CYP4A11SMN1; SMN2USP2CYP2D6
SCHEMBL13819904 0.79 SMN1; SMN2 (0.39) CYP4F2CYP4A11SMN1; SMN2USP2CYP2D6
SCHEMBL5566107 0.78 CYP2D6 (0.36) SMN1; SMN2USP2CYP2D6ALDH1A1CYP2C19
SCHEMBL15716997 0.76 USP2 (0.36) SMN1; SMN2USP2CYP2D6ALDH1A1CYP2C19
SCHEMBL12284806 0.74 CYP2D6 (0.39) CYP4F2CYP4A11SMN1; SMN2CYP2D6ALDH1A1

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-20230265090-A1 QUINAZOLINE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-08-24 US disclosed
US-20230265090-A1 QUINAZOLINE COMPOUND MEDSHINE DISCOVERY INC. (CN) 2023-08-24 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-20230265090-A1 QUINAZOLINE COMPOUND ABCG2, CYP3A7, ABL1 CYP4F2 66/4885CYP4A11 129/4885SMN1; SMN2 2114/4885

“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.