SCHEMBL22791879

SCHEMBL22791879

CN[C@H](Cc1ccc2ccccc2c1)C(=O)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 5/20 0.52
▸ ACE P12821 4/20 0.52
▸ CPA1 P15085 2/20 0.52
▸ ACE2 Q9BYF1 2/20 0.52
▸ HTR2A P28223 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ HTR2B P41595 1/20 0.51
▸ MMP9 P14780 3/20 0.51
▸ MMP8 P22894 3/20 0.51
▸ MMP2 P08253 1/20 0.49
▸ TACR1 P25103 1/20 0.48
▸ FCER2 P06734 1/20 0.47
▸ MC5R P33032 2/20 0.46
▸ MC1R Q01726 2/20 0.46
▸ CTSL P07711 2/20 0.46
▸ CTSB P07858 2/20 0.46
▸ CTSS P25774 2/20 0.46
▸ CTSK P43235 1/20 0.46
▸ PIN1 Q13526 1/20 0.45

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
SCHEMBL21166945 1.00 MME (0.52) MMEACECPA1ACE2HTR2A
SCHEMBL24510711 1.00 MME (0.52) MMEACECPA1ACE2HTR2A
SCHEMBL21690504 0.87 MME (0.51) MMEACECPA1ACE2HTR2A
SCHEMBL14511422 0.87 MME (0.51) MMEACECPA1ACE2HTR2A
SCHEMBL16171805 0.87 MME (0.51) MMEACECPA1ACE2HTR2A
SCHEMBL8895051 0.85 MME (0.61) MMEACECPA1ACE2HTR2A
SCHEMBL10071066 0.85 MME (0.61) MMEACECPA1ACE2HTR2A
SCHEMBL10442191 0.85 MMP9 (0.53) MMEACECPA1ACE2HTR2A
SCHEMBL8300313 0.85 MMP9 (0.53) MMEACECPA1ACE2HTR2A
SCHEMBL805215 0.85 MME (0.61) MMEACECPA1ACE2HTR2A

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-20200392182-A1 RAPADOCINS, INHIBITORS OF EQUILIBRATIVE NUCLEOSIDE TRANSPORTER 1 AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY 2020-12-17 — — 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-20200392182-A1 RAPADOCINS, INHIBITORS OF EQUILIBRATIVE NUCLEOSIDE TRANSPORTER 1 AND USES THEREOF SLC29A1, SLC29A2, SLC2A1 MME 3748/4885ACE 4030/4885CPA1 534/4885

“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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