SCHEMBL20653264

SCHEMBL20653264

CC(C)CN1CCC(COC(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
PIK3CD O00329 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2D6 P10635 2/20 0.31
KCNA3 P22001 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
SCHEMBL23696529 0.85 HRH3 (0.41) HRH3PIK3CDSMN1; SMN2KDM4ECYP2D6
SCHEMBL19124101 0.81 SMN1; SMN2 (0.36) HRH3SMN1; SMN2
SCHEMBL25071623 0.79 HRH3 (0.42) HRH3PIK3CDSMN1; SMN2KDM4ECYP2D6
SCHEMBL22309866 0.78 HRH3 (0.41) HRH3PIK3CDSMN1; SMN2KDM4ECYP2D6
SCHEMBL20653188 0.77 CHRM4 (0.33)
SCHEMBL22856539 0.76 HRH3 (0.47) HRH3PIK3CDSMN1; SMN2CYP2D6
SCHEMBL23945606 0.76 HRH3 (0.40) HRH3PIK3CDSMN1; SMN2KDM4ECYP2D6
SCHEMBL22856073 0.76 SMN1; SMN2 (0.41) HRH3PIK3CDSMN1; SMN2KDM4ECYP2D6
SCHEMBL23696290 0.75 ALDH1A1 (0.41) HRH3SMN1; SMN2KDM4E
SCHEMBL21107430 0.74 PIK3CD (0.43) HRH3PIK3CDSMN1; SMN2KDM4ECYP2D6

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-20190016689-A1 NOVEL FLUORINATED QUINAZOLINE DERIVATIVES AS EGFR INHIBITORS TRILLIUM THERAPEUTICS INC. (CA) 2019-01-17 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-20190016689-A1 NOVEL FLUORINATED QUINAZOLINE DERIVATIVES AS EGFR INHIBITORS EGFR, ERBB2, ERBB4 HRH3 2220/4885PIK3CD 342/4885SMN1; SMN2 4778/4885

“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.