SCHEMBL16749482

SCHEMBL16749482

CC(C[C@H]1CC(F)(F)CN1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.31
CYP1A2 P05177 1/20 0.31
IL1B P01584 2/20 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
SCHEMBL16749537 1.00 GABRR1 (0.31) GABRR1CYP1A2IL1B
Hydrochloric Acid SCHEMBL17924736 0.98 ALDH1A1 (0.30)
Hydrochloric Acid SCHEMBL17924771 0.98 ALDH1A1 (0.30)
SCHEMBL22108699 0.80
SCHEMBL22293813 0.77
SCHEMBL23723154 0.74 ITGB3 (0.39) GABRR1CYP1A2
SCHEMBL16749262 0.74 ITGB3 (0.39) GABRR1CYP1A2
Hydrochloric Acid SCHEMBL17924757 0.73 ITGB3 (0.38) GABRR1CYP1A2
SCHEMBL18082642 0.72 APLNR (0.43) GABRR1CYP1A2
SCHEMBL18084161 0.72 APLNR (0.43) GABRR1CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071564-B1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO LTD (CN) 2020-08-05 EP disclosed
US-9498479-B2 Dihydropyrimidine compounds and their application in pharmaceuticals SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-11-22 US disclosed
US-20160206616-A1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-07-21 US disclosed
WO-2015074546-A1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-05-28 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-20160206616-A1 DIHYDROPYRIMIDINE COMPOUNDS AND THEIR APPLICATION IN PHARMACEUTICALS DPYD, SLC10A1, HPRT1 GABRR1 4421/4885CYP1A2 406/4885IL1B 2216/4885

“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.