SCHEMBL21037178

SCHEMBL21037178

COC(=O)[C@@H](N)CC1=CCC(F)(F)CC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.35
PGGT1B P53609 1/20 0.35
ALDH1A1 P00352 1/20 0.33
PTGS2 P35354 2/20 0.32

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
SCHEMBL20994292 0.76 KLK5 (0.41)
SCHEMBL21035864 0.72 TSHR (0.35) ALDH1A1
Hydrochloric Acid SCHEMBL11881163 0.72 KDM4E (0.46) ALDH1A1
SCHEMBL25076192 0.69 SMN1; SMN2 (0.31)
SCHEMBL25474776 0.68 ALDH1A1 (0.36) ALDH1A1PTGS2
SCHEMBL21983787 0.67 PTGS2 (0.35) FNTAPGGT1BALDH1A1PTGS2
SCHEMBL16351132 0.67 ALDH1A1 (0.38) FNTAPGGT1BALDH1A1PTGS2
Hydrochloric Acid SCHEMBL11878599 0.67 ALDH1A1 (0.38) ALDH1A1PTGS2
SCHEMBL20622190 0.66 CHRM1 (0.49)
Hydrochloric Acid SCHEMBL9629978 0.65 ALDH1A1 (0.34) ALDH1A1PTGS2

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-3489231-B1 PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2021-06-09 EP disclosed
US-10710988-B2 Piperazine derivative ASTELLAS PHARMA INC. (JP) 2020-07-14 US disclosed
US-20190202815-A1 PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2019-07-04 US disclosed
EP-3489231-A1 PIPERAZINE DERIVATIVE Astellas Pharma Inc. (JP) 2019-05-29 EP 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-10710988-B2 Piperazine derivative GPR4, MC4R, TRPC4 FNTA 1252/4885PGGT1B 2072/4885ALDH1A1 2792/4885
US-20190202815-A1 PIPERAZINE DERIVATIVE GPR4, MC4R, TRPC4 FNTA 1252/4885PGGT1B 2072/4885ALDH1A1 2792/4885

“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.