SCHEMBL20179895

SCHEMBL20179895

CC(C)N1CC(F)CCC1CSCC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
DPP4 P27487 2/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
CYP2D6 P10635 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL21191243 0.77 ALDH1A1 (0.34) ALDH1A1CYP2D6HIF1A
SCHEMBL21191168 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL22329135 0.73 DPP4 (0.31) DPP4DPP8DPP9
SCHEMBL20179863 0.73 CYP2D6 (0.34) ALDH1A1CYP2D6HIF1A
SCHEMBL20179861 0.71 ALDH1A1 (0.34) ALDH1A1CYP2D6HIF1A
SCHEMBL20179888 0.71 DPP4 (0.32) ALDH1A1DPP4DPP8DPP9CYP2D6
SCHEMBL22329083 0.71 ALDH1A1 (0.33) ALDH1A1CYP2D6HIF1A
SCHEMBL21191217 0.68 CYP2D6 (0.32) CYP2D6HIF1A
SCHEMBL21191148 0.68 ALDH1A1 (0.33) ALDH1A1CYP2D6HIF1A
SCHEMBL21190945 0.68 ALDH1A1 (0.36) ALDH1A1

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
WO-2018090862-A1 DIHYDROPYRIMIDINE COMPOUND AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2018-05-24 WO 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-11166954-B2 Dihydropyrimidine compound and preparation method and use thereof DPYD, DHPS, HPRT1 ALDH1A1 260/4885DPP4 154/4885DPP8 189/4885

“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.