SCHEMBL21795118

SCHEMBL21795118

CCC(=O)C(N)CC(=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 6/20 0.36
▸ GRIA4 P48058 3/20 0.36
▸ GRIK3 Q13003 3/20 0.36
▸ GRIK5 Q16478 3/20 0.36
▸ SLC7A5 Q01650 1/20 0.34
▸ PTGS1 P23219 1/20 0.32
▸ SLC7A11 Q9UPY5 1/20 0.32
▸ GRIK2 Q13002 3/20 0.31
▸ GRIA2 P42262 2/20 0.31
▸ GRIA1 P42261 1/20 0.31
▸ SLC1A3 P43003 3/20 0.31
▸ SLC1A2 P43004 3/20 0.31
▸ SLC1A1 P43005 2/20 0.31
▸ SLC15A1 P46059 1/20 0.31
▸ ENPEP Q07075 2/20 0.30
▸ GABRP O00591 2/20 0.30
▸ GABRD O14764 2/20 0.30
▸ GABRA1 P14867 2/20 0.30
▸ GABRB1 P18505 2/20 0.30
▸ GABRG2 P18507 2/20 0.30

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
SCHEMBL14771690 0.78 GRIK1 (0.38) GRIK1GRIA4GRIK3GRIK5SLC7A5
SCHEMBL16018408 0.78 GABRP (0.36) GRIK1GRIA4GRIK3GRIK5SLC7A5
SCHEMBL16024166 0.78 ALDH1A1 (0.43) GRIK1GRIA4GRIK3GRIK5SLC7A5
SCHEMBL33273 0.78 FFAR3 (0.43) GRIK1GRIA4GRIK3GRIK5SLC7A5
SCHEMBL21690060 0.78 SLC7A5 (0.58) GRIK1GRIA4GRIK3GRIK5SLC7A5
SCHEMBL21577845 0.78 SLC7A5 (0.58) GRIK1GRIA4GRIK3GRIK5SLC7A5
SCHEMBL21345146 0.78 GRIK1 (0.38) GRIK1GRIA4GRIK3GRIK5SLC7A5
SCHEMBL21345666 0.78 FFAR3 (0.43) GRIK1GRIA4GRIK3GRIK5SLC7A5
SCHEMBL12368601 0.78 ALDH1A1 (0.36) GRIK1GRIA4GRIK3GRIK5SLC7A5
SCHEMBL16359636 0.78 FFAR3 (0.43) GRIK1GRIA4GRIK3GRIK5SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691950-B2 Isoquinoline-steroid conjugates and uses thereof AERIE PHARMACEUTICALS, INC. (US) 2023-07-04 — — US disclosed
US-11059789-B2 Isoquinoline-steroid conjugates and uses thereof AERIE PHARMACEUTICALS, INC. (US) 2021-07-13 — — US disclosed
US-20200071275-A1 ISOQUINOLINE-STEROID CONJUGATES AND USES THEREOF ALCON INC. (CH) 2020-03-05 — — 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 (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-20200071275-A1 ISOQUINOLINE-STEROID CONJUGATES AND USES THEREOF GRK1, TNK2, CYP11B2 GRIK1 379/4885GRIA4 1851/4885GRIK3 440/4885
US-11059789-B2 Isoquinoline-steroid conjugates and uses thereof GRK1, TNK2, CYP11B2 GRIK1 379/4885GRIA4 1851/4885GRIK3 440/4885
US-11691950-B2 Isoquinoline-steroid conjugates and uses thereof GRK1, TNK2, CYP11B2 GRIK1 379/4885GRIA4 1851/4885GRIK3 440/4885

“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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