SCHEMBL21690504

SCHEMBL21690504

CC(C)N[C@H](Cc1ccc2ccccc2c1)C(=O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 5/20 0.51
▸ ACE P12821 4/20 0.51
▸ CPA1 P15085 2/20 0.51
▸ ACE2 Q9BYF1 2/20 0.51
▸ MMP9 P14780 3/20 0.50
▸ MMP8 P22894 3/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ TACR1 P25103 1/20 0.47
▸ MMP2 P08253 1/20 0.46
▸ CTSB P07858 3/20 0.45
▸ CTSS P25774 3/20 0.45
▸ MC5R P33032 2/20 0.45
▸ MC1R Q01726 2/20 0.45
▸ CTSL P07711 2/20 0.45
▸ CTSK P43235 2/20 0.45
▸ PIN1 Q13526 2/20 0.44

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
SCHEMBL16171805 1.00 MME (0.51) MMEACECPA1ACE2MMP9
SCHEMBL14511422 1.00 MME (0.51) MMEACECPA1ACE2MMP9
SCHEMBL14537029 0.87 MME (0.52) MMEACECPA1ACE2MMP9
SCHEMBL13957286 0.87 MME (0.62) MMEACECPA1ACE2MMP9
SCHEMBL16252303 0.87 MME (0.52) MMEACECPA1ACE2MMP9
SCHEMBL24510711 0.87 MME (0.52) MMEACECPA1ACE2MMP9
SCHEMBL16252292 0.87 MME (0.62) MMEACECPA1ACE2MMP9
SCHEMBL22791879 0.87 MME (0.52) MMEACECPA1ACE2MMP9
SCHEMBL21166945 0.87 MME (0.52) MMEACECPA1ACE2MMP9
SCHEMBL13707921 0.86 HTR2A (0.54) MMEACECPA1ACE2MMP9

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-11066416-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-07-20 — — US disclosed
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RAPAFUSYN PHARMACEUTICALS, INC. 2020-02-06 — — 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 (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-11066416-B2 Rapafucin derivative compounds and methods of use thereof RICTOR, FKBP14, MTOR MME 3786/4885ACE 4369/4885CPA1 3497/4885
US-20200040004-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR MME 3786/4885ACE 4369/4885CPA1 3497/4885

“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.

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