SCHEMBL21166945

SCHEMBL21166945

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
SCHEMBL22791879 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022123462-A1 RADIOLABELLED PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS AND USE THEREOF 3B PHARMACEUTICALS GMBH (DE) 2022-06-16 — — WO disclosed
US-10793601-B2 Therapeutic spalt-like transcription factor 4 (SALL4) peptide NATIONAL UNIVERSITY OF SINGAPORE (SG) 2020-10-06 — — US disclosed
US-20200223889-A1 Bicyclic Compounds Capable of Binding to Melanocortin 4 Receptor NOVO NORDISK A/S (DK) 2020-07-16 — — US disclosed
US-20190218253-A1 Therapeutic SALL4 Peptide AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-07-18 — — 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 (3 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-20200223889-A1 Bicyclic Compounds Capable of Binding to Melanocortin 4 Receptor MC4R, MC5R, MC3R MME 176/4885ACE 1543/4885CPA1 1010/4885
US-20190218253-A1 Therapeutic SALL4 Peptide RBBP4, RBBP5, RB1 MME 1825/4885ACE 2092/4885CPA1 2947/4885
US-10793601-B2 Therapeutic spalt-like transcription factor 4 (SALL4) peptide RBBP4, SALL4, RBBP5 MME 2541/4885ACE 2778/4885CPA1 3293/4885

“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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