SCHEMBL17933367

SCHEMBL17933367

C[C@@H](N)CC1=NC=C(P(=O)(O)O)C1

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ FDPS P14324 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ SLC6A2 P23975 1/20 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
SCHEMBL17933354 0.61 ALDH1A1 (0.33) TAAR1ALDH1A1FDPSTDP1SLC6A2
SCHEMBL17933366 0.59 FDPS (0.35) TAAR1ALDH1A1FDPSTDP1SLC6A2
SCHEMBL17933360 0.59 ALDH1A1 (0.32) TAAR1ALDH1A1FDPSTDP1SLC6A2
SCHEMBL17933349 0.59 SCN10A (0.39) TAAR1ALDH1A1FDPSTDP1SLC6A2
SCHEMBL17933370 0.58 FDPS (0.38) TAAR1ALDH1A1FDPSSLC6A2
SCHEMBL17933358 0.58 ALDH1A1 (0.31) TAAR1ALDH1A1FDPSTDP1SLC6A2
SCHEMBL17933355 0.58 FBP1 (0.38) —
Amphetamine SCHEMBL113682 0.57 TAAR1 (0.76) TAAR1SLC6A2
Dextroamphetamine SCHEMBL547496 0.57 TAAR1 (0.76) TAAR1SLC6A2
Dextroamphetamine SCHEMBL17924971 0.56 TAAR1 (0.73) TAAR1SLC6A2

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-20160207948-A1 PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES UNIVERSITY OF SHEFFIELD (GB) 2016-07-21 — — 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-20160207948-A1 PHOSPHOHISTIDINE AND PHOSPHOTYROSINE ANALOGUES HRH3, CYTH3, CYTH2 TAAR1 4570/4885ALDH1A1 4655/4885FDPS 3192/4885

“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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