SCHEMBL20849763

SCHEMBL20849763

CN([C@@H](Cc1ccc(F)cc1)C(=O)C(C)(C)C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.42
▸ TRPA1 O75762 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ CPA1 P15085 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ MME P08473 1/20 0.36
▸ ACE P12821 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
SCHEMBL1706858 0.86 ESR1 (0.42) GAAOPRM1OPRD1OPRK1
SCHEMBL20849761 0.85 MEN1 (0.41) RIPK1HPGDTDP1HTTKDM4E
SCHEMBL20849762 0.84 MAPT (0.46) RIPK1HPGDOPRM1OPRD1OPRK1
SCHEMBL20849755 0.84 MAPT (0.46) RIPK1HPGDOPRM1OPRD1OPRK1
SCHEMBL26897330 0.82 ALDH1A1 (0.51) GAAHTTCPA1MMEACE
SCHEMBL1707342 0.76 MAOB (0.55) MAOB
SCHEMBL19230448 0.72 TRPA1 (0.44) RIPK1TRPA1TDP1HTTMAOA
SCHEMBL19230442 0.72 TRPA1 (0.44) RIPK1TRPA1TDP1HTTMAOA
SCHEMBL14664156 0.72 MME (0.44) TDP1OPRM1OPRD1KMT2ACTSS
SCHEMBL22872309 0.71 CYP1A2 (0.48) HPGDTDP1KDM4EOPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190092808-A1 SYNTHESIS AND COMPOSITION OF RAPAFUCIN LIBRARIES THE JOHNS HOPKINS UNIVERSITY 2019-03-28 — — US 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-20190092808-A1 SYNTHESIS AND COMPOSITION OF RAPAFUCIN LIBRARIES MTOR, COASY, RICTOR RIPK1 2361/4885TRPA1 4879/4885HPGD 1980/4885

“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.

Send feedback