SCHEMBL25596306

SCHEMBL25596306

C=C(C)NC(CF)Cc1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 3/20 0.42
▸ OPRD1 P41143 2/20 0.42
▸ TAAR1 Q96RJ0 3/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ ESR1 P03372 3/20 0.41
▸ ESR2 Q92731 3/20 0.41
▸ CNR1 P21554 1/20 0.39
▸ SLC7A5 Q01650 1/20 0.39
▸ ADRB2 P07550 2/20 0.38

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
SCHEMBL25596175 0.84 ESR1 (0.42) OPRK1OPRD1TAAR1SLC6A2ESR1
SCHEMBL25596407 0.83 ESR1 (0.47) OPRK1OPRD1TAAR1ESR1ESR2
SCHEMBL25596402 0.78 PCNA (0.50) OPRK1OPRD1TAAR1ESR1ESR2
SCHEMBL25596305 0.77 TAAR1 (0.50) OPRK1OPRD1TAAR1SLC6A2ESR1
SCHEMBL14213197 0.72 FOLH1 (0.62) SLC7A5
SCHEMBL18435556 0.69 MAPK1 (0.59) —
SCHEMBL22783133 0.69 HPGD (0.51) —
SCHEMBL25596213 0.69 TAAR1 (0.57) TAAR1SLC6A2ESR1ESR2SLC7A5
SCHEMBL11989410 0.68 PCNA (0.61) ESR1ESR2CNR1SLC7A5
SCHEMBL12809685 0.68 OPRK1 (0.54) OPRK1OPRD1ESR1ESR2

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-20230181493-A1 BIOMARKERS RELATED TO PARKINSON'S DISEASE AND METHODS OF USING THE SAME SENDA BIOSCIENCES INC (US) 2023-06-15 — — 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-20230181493-A1 BIOMARKERS RELATED TO PARKINSON'S DISEASE AND METHODS OF USING THE SAME COMT, SNCA, PARK7 OPRK1 630/4885OPRD1 1432/4885TAAR1 1487/4885

“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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