SCHEMBL3584698

SCHEMBL3584698

NC(=O)CN(C[C@@H](N)COCc1ccccc1)C(=O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.44
SLC1A1 P43005 1/20 0.42
CACNA1F O60840 3/20 0.39
CACNA1D Q01668 3/20 0.39
CACNA1S Q13698 3/20 0.39
CACNA1C Q13936 3/20 0.39
CA1 P00915 2/20 0.38
CES1 P23141 1/20 0.36
F2 P00734 2/20 0.36
TMPRSS6 Q8IU80 2/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
MAOB P27338 1/20 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
SCHEMBL10471403 0.77 SLC1A1 (0.41) TACR1SLC1A1CACNA1FCACNA1DCACNA1S
SCHEMBL16103748 0.72 SLC1A1 (0.54) TACR1SLC1A1CA1CA2CA7
SCHEMBL10098451 0.72 SLC1A1 (0.54) TACR1SLC1A1CA1CA2CA7
SCHEMBL10098462 0.71 SLC1A1 (0.52) TACR1SLC1A1CA1CA2CA7
SCHEMBL16103417 0.71 SLC1A1 (0.52) TACR1SLC1A1CA1CA2CA7
Trifluoroacetic Acid SCHEMBL30950059 0.70 SLC1A1 (0.46) TACR1SLC1A1CA1F2TMPRSS6
Trifluoroacetic Acid SCHEMBL23390351 0.70 SLC1A1 (0.51) TACR1SLC1A1CA1CES1F2
Trifluoroacetic Acid SCHEMBL3580103 0.70 SLC1A1 (0.62) TACR1SLC1A1CA1CES1F2
Trifluoroacetic Acid SCHEMBL23390354 0.70 SLC1A1 (0.51) TACR1SLC1A1CA1CES1F2
SCHEMBL18394417 0.69 TACR1 (0.63) TACR1SLC1A1CA1CA2CA7

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-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 Wurster, Siegfried (FI) 2010-02-25 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-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 SSTR1, SSTR4, SSTR3 TACR1 19/4885SLC1A1 465/4885CACNA1F 1946/4885

“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.