SCHEMBL22799775

SCHEMBL22799775

C=Cc1cccc(C[C@H](N)C(=O)N(C)OC)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 6/20 0.42
▸ FAAH O00519 1/20 0.39
▸ NOS3 P29474 2/20 0.38
▸ NOS1 P29475 2/20 0.38
▸ NOS2 P35228 2/20 0.38
▸ GRIA2 P42262 1/20 0.36
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ ALPI P09923 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ XIAP P98170 1/20 0.35
▸ TAAR1 Q96RJ0 2/20 0.35

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
SCHEMBL8295626 0.82 SLC7A5 (0.49) SLC7A5NOS3NOS1NOS2
SCHEMBL16670314 0.82 CIT (0.39) SLC7A5TAAR1
SCHEMBL16670312 0.82 CIT (0.39) SLC7A5TAAR1
SCHEMBL7269254 0.80 SLC7A5 (0.56) SLC7A5FAAHALPIPKMPTGS1
SCHEMBL7438290 0.80 SLC7A5 (0.56) SLC7A5FAAHALPIPKMPTGS1
SCHEMBL20773131 0.79 SLC7A5 (0.46) SLC7A5FAAHNOS3NOS1NOS2
SCHEMBL20793245 0.79 SLC7A5 (0.43) SLC7A5FAAHNOS3NOS1NOS2
Hydrochloric Acid SCHEMBL6161681 0.78 SLC7A5 (0.54) SLC7A5FAAHALPIPKMPTGS1
Hydrochloric Acid SCHEMBL1126065 0.78 SLC7A5 (0.54) SLC7A5FAAHALPIPKMPTGS1
SCHEMBL20773133 0.78 SLC7A5 (0.42) SLC7A5FAAHNOS3NOS1NOS2

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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF Knobbe, Martens, Olson & Bear, LLP 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-20200392157-A1 CALPAIN MODULATORS AND THERAPEUTIC USES THEREOF CAPNS1, CAPN2, CAPN1 SLC7A5 4282/4885FAAH 2377/4885NOS3 3695/4885

“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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