SCHEMBL20021560

SCHEMBL20021560

CC(=O)NC[C@@H](Cc1ccccc1)C(=O)C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.57
MTNR1B P49286 3/20 0.57
CYP1A2 P05177 1/20 0.47
CTRB1 P17538 4/20 0.44
PPARG P37231 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
CPA1 P15085 1/20 0.42
CPA3 P15088 1/20 0.42
FOLH1 Q04609 1/20 0.42

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
SCHEMBL684802 0.88 POLB (0.51) MTNR1AMTNR1BCYP1A2PPARGMAPT
SCHEMBL1709763 0.84 MTNR1A (0.64) MTNR1AMTNR1BCYP1A2CTRB1MAPT
SCHEMBL2327792 0.80 MTNR1A (0.59) MTNR1AMTNR1BCYP1A2CTRB1MAPT
SCHEMBL2327788 0.80 MTNR1A (0.59) MTNR1AMTNR1BCYP1A2CTRB1MAPT
SCHEMBL19483359 0.79 CYP1A2 (0.55) CYP1A2MAPTCPA1CPA3FOLH1
SCHEMBL1709341 0.79 CYP1A2 (0.60) CYP1A2PPARGMAPTCPA1CPA3
SCHEMBL19483390 0.79 CYP1A2 (0.55) CYP1A2MAPTCPA1CPA3FOLH1
SCHEMBL13594114 0.76 MTNR1A (0.66) MTNR1AMTNR1BCTRB1LMNAMAPT
SCHEMBL1627622 0.75 CTSS (0.58) CTRB1LMNACTSSCTSK
SCHEMBL8825845 0.75 POLB (0.50) MTNR1AMTNR1BCYP1A2PPARGMAPT

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-20180092883-A1 PHOSPHATASE INHIBITORS FOR TREATING OCULAR DISEASES EyePoint Pharmaceuticals, Inc. 2018-04-05 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-20180092883-A1 PHOSPHATASE INHIBITORS FOR TREATING OCULAR DISEASES PPM1G, PPM1F, PPM1A MTNR1A 2994/4885MTNR1B 2378/4885CYP1A2 4820/4885

“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.