SCHEMBL6947437

SCHEMBL6947437

C[C@H](c1ccccc1)N1C[C@H](CF)[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CCR5 P51681 2/20 0.39
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
CTSK P43235 3/20 0.39
EPHX2 P34913 1/20 0.38
CTSS P25774 1/20 0.38
KCNA3 P22001 1/20 0.37
UTS2R Q9UKP6 1/20 0.36
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL6947436 1.00 KMT2A (0.40) KMT2AL3MBTL1CCR5KDM1AMAOB
SCHEMBL6947439 1.00 KMT2A (0.40) KMT2AL3MBTL1CCR5KDM1AMAOB
SCHEMBL4566815 0.85 EPHX2 (0.38) KMT2AL3MBTL1CCR5KDM1AMAOB
SCHEMBL4566814 0.85 EPHX2 (0.38) KMT2AL3MBTL1CCR5KDM1AMAOB
SCHEMBL5627058 0.83 KDM1A (0.39) KMT2AL3MBTL1CCR5KDM1AMAOB
SCHEMBL5627055 0.83 KDM1A (0.39) KMT2AL3MBTL1CCR5KDM1AMAOB
SCHEMBL5627065 0.83 KDM1A (0.39) KMT2AL3MBTL1CCR5KDM1AMAOB
SCHEMBL5627069 0.83 KDM1A (0.39) KMT2AL3MBTL1CCR5KDM1AMAOB
SCHEMBL14441187 0.83 KDM1A (0.39) KMT2AL3MBTL1CCR5KDM1AMAOB
SCHEMBL2183100 0.83 KDM1A (0.41) KMT2AL3MBTL1CCR5KDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0995744-B1 CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2003-02-12 EP claimed
US-20020072608-A1 CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-06-13 US claimed
EP-0995744-A1 CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-04-26 EP claimed
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-09-13 US disclosed
US-6656952-B2 As antibiotics DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-12-02 US disclosed
EP-0995744-B1 CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2003-02-12 EP disclosed
US-20020072608-A1 CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-06-13 US disclosed
EP-0995744-A1 CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-04-26 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-20020072608-A1 CIS-SUBSTITUTED FLUOROMETHYLPYRROLIDINE DERIVATIVE Q6ZSR9, MRPL21, ABCC1 KMT2A 1525/4885L3MBTL1 322/4885CCR5 1269/4885
US-20120232288-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE TLR5, TEAD4, NAALAD2 KMT2A 3178/4885L3MBTL1 1350/4885CCR5 2446/4885

“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.