SCHEMBL21947594

SCHEMBL21947594

CCOC(=O)[C@H](N)Cc1cccc(-c2cc[nH]n2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRIA2 P42262 1/20 0.42
▸ PPARG P37231 2/20 0.42
▸ PPARA Q07869 2/20 0.42
▸ SCN9A Q15858 1/20 0.40
▸ SLC7A5 Q01650 4/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ TPH1 P17752 2/20 0.37
▸ TACR1 P25103 2/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36

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
Hydrochloric Acid SCHEMBL28362811 0.99 GRIA2 (0.41) GRIA2PPARGPPARASCN9ASLC7A5
Hydrochloric Acid SCHEMBL28362813 0.99 GRIA2 (0.41) GRIA2PPARGPPARASCN9ASLC7A5
SCHEMBL21946552 0.89 SLC7A5 (0.44) GRIA2PPARGPPARASLC7A5MAPT
SCHEMBL21946649 0.89 SLC7A5 (0.44) GRIA2PPARGPPARASLC7A5MAPT
SCHEMBL21946228 0.85 GRIA2 (0.59) GRIA2SLC7A5NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL21879189 0.84 GRIA2 (0.58) GRIA2SLC7A5NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL20502559 0.84 GRIA2 (0.58) GRIA2SLC7A5NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL21879188 0.84 GRIA2 (0.58) GRIA2SLC7A5NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL20502561 0.84 GRIA2 (0.58) GRIA2SLC7A5NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL30655647 0.84 GRIA2 (0.58) GRIA2SLC7A5NOS3NOS1NOS2

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-11345669-B2 Urea derivatives and methods of use thereof NodThera Limited (GB) 2022-05-31 — — US disclosed
US-20200131141-A1 CHEMICAL COMPOUNDS NodThera Limited (GB) 2020-04-30 — — 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-20200131141-A1 CHEMICAL COMPOUNDS IL1B, CASP1, IL1A GRIA2 3338/4885PPARG 867/4885PPARA 2135/4885
US-11345669-B2 Urea derivatives and methods of use thereof IL1B, IL1A, NOD1 GRIA2 4777/4885PPARG 2574/4885PPARA 3313/4885

“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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