SCHEMBL13061496

SCHEMBL13061496

N[C@H](Cc1cnc[nH]1)C(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.62
▸ CYP3A4 P08684 1/20 0.61
▸ SLC7A5 Q01650 1/20 0.61
▸ NLN Q9BYT8 1/20 0.51

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
SCHEMBL713213 1.00 LTA4H (0.62) LTA4HCYP3A4SLC7A5NLN
Hydrochloric Acid SCHEMBL27320108 0.99 LTA4H (0.61) LTA4HCYP3A4SLC7A5
SCHEMBL6816189 0.90 LTA4H (0.58) LTA4HCYP3A4SLC7A5NLN
SCHEMBL3626018 0.87 CYP3A4 (0.58) LTA4HCYP3A4SLC7A5NLN
SCHEMBL1007042 0.87 CYP3A4 (0.61) LTA4HCYP3A4SLC7A5NLN
SCHEMBL21001107 0.84 CYP3A4 (0.51) LTA4HCYP3A4SLC7A5NLN
SCHEMBL28231837 0.84 CYP3A4 (0.57) LTA4HCYP3A4SLC7A5NLN
SCHEMBL11416854 0.83 CYP3A4 (0.50) LTA4HCYP3A4SLC7A5NLN
SCHEMBL6114085 0.83 CYP3A4 (0.62) LTA4HCYP3A4SLC7A5NLN
Phenylalanine SCHEMBL28074950 0.82 SLC7A5 (0.80) LTA4HCYP3A4SLC7A5NLN

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-20100324131-A1 Salvinorin Derivatives and Uses Thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2010-12-23 — — US disclosed
US-7629475-B2 Salvinorin derivatives and uses thereof THE MCLEAN HOSPITAL CORPORATION (US) 2009-12-08 — — US disclosed
US-20070213394-A1 Salvinorin derivatives and uses thereof NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-09-13 — — 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-20100324131-A1 Salvinorin Derivatives and Uses Thereof OPRK1, OPRD1, OPRM1 LTA4H 3671/4885CYP3A4 1293/4885SLC7A5 1581/4885
US-20070213394-A1 Salvinorin derivatives and uses thereof OPRK1, OPRD1, OPRM1 LTA4H 3671/4885CYP3A4 1293/4885SLC7A5 1581/4885

“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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