SCHEMBL25625751

SCHEMBL25625751

COC(=O)C[C@H](N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 10/20 0.43
SCN9A Q15858 4/20 0.40
ALDH1A1 P00352 1/20 0.40
NOTUM Q6P988 1/20 0.39
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
MAPT P10636 1/20 0.38
CES2 O00748 1/20 0.38
CFTR P13569 1/20 0.38

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
SCHEMBL3929529 0.91 AKT1 (0.38) TACR1SCN9AALDH1A1NOTUMMAPT
SCHEMBL25623724 0.91 AKT1 (0.38) TACR1SCN9AALDH1A1NOTUMMAPT
SCHEMBL24037031 0.91 CTSA (0.38) TACR1SCN9AALDH1A1NOTUMMAPT
SCHEMBL25752836 0.90 SLC13A3 (0.40) TACR1SCN9ANOTUMMAPT
SCHEMBL24037032 0.90 NOTUM (0.50) TACR1SCN9AALDH1A1NOTUMCFTR
SCHEMBL24037035 0.90 RXRA (0.42) TACR1SCN9A
SCHEMBL24037033 0.90 TACR1 (0.36) TACR1SCN9AALDH1A1NOTUMCACNA1F
Hydrochloric Acid SCHEMBL30388827 0.89 SLC13A3 (0.40) TACR1SCN9ANOTUMMAPT
SCHEMBL24036567 0.87 SCN9A (0.37) TACR1SCN9AALDH1A1NOTUMMAPT
SCHEMBL19283469 0.85 PNMT (0.49) TACR1ALDH1A1CES2

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-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE UBE CORPORATION (JP) 2023-06-22 US disclosed
WO-2023085396-A1 PHARMACEUTICAL COMPOSITION FOR PROVIDING TREATMENT FOR OR PREVENTING ALPORT SYNDROME UBE株式会社 2023-05-19 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-20230192661-A1 1, 4, 5, 6-TETRAHYDROPYRIMIDINE-2-AMINE DERIVATIVE DHFR, DPYD, CYP2D6 TACR1 1449/4885SCN9A 1868/4885ALDH1A1 208/4885

“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.