SCHEMBL22329079

SCHEMBL22329079

CC(C)N1CCC(OCC(=O)O)C(F)C1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.31
CTSV O60911 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CTSC P53634 1/20 0.31
CTSF Q9UBX1 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL22329104 0.86 MAPT (0.30)
SCHEMBL21146867 0.86 MAPT (0.30)
SCHEMBL20179872 0.80 SSTR4 (0.33) ALDH1A1
SCHEMBL26209238 0.78 ITGB3 (0.40) HRH3ITGB3ITGA2B
SCHEMBL21191170 0.78
SCHEMBL26730038 0.78 ITGB3 (0.40) HRH3ITGB3ITGA2B
SCHEMBL22329102 0.77 PTGIR (0.30) HRH3
SCHEMBL25001834 0.74 EGFR (0.32)
SCHEMBL22166895 0.71
SCHEMBL20179858 0.71 ITGB3 (0.35) ITGB3ITGA2BALDH1A1

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-11166954-B2 Dihydropyrimidine compound and preparation method and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-11-09 US disclosed
US-20200253971-A1 DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2020-08-13 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 (2 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-11166954-B2 Dihydropyrimidine compound and preparation method and use thereof DPYD, DHPS, HPRT1 HRH3 468/4885CTSV 1653/4885CTSL 1134/4885
US-20200253971-A1 DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF DPYD, DHPS, HPRT1 HRH3 468/4885CTSV 1653/4885CTSL 1134/4885

“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.