SCHEMBL25596176

SCHEMBL25596176

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.47
▸ SLC6A2 P23975 2/20 0.47
▸ ESR1 P03372 2/20 0.46
▸ ESR2 Q92731 2/20 0.46
▸ ADRB2 P07550 7/20 0.46
▸ ADRB3 P13945 3/20 0.46
▸ ADRB1 P08588 2/20 0.46
▸ ACACB O00763 1/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ OPRM1 P35372 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44

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
SCHEMBL256801 0.75 ACACB (0.62) ACACB
SCHEMBL163430 0.75 ACACB (0.62) ACACB
SCHEMBL8729705 0.75 NPC1 (0.58) TAAR1SLC6A2ESR1ESR2ACACB
SCHEMBL11689625 0.75 NPC1 (0.58) TAAR1SLC6A2ESR1ESR2ACACB
SCHEMBL6552469 0.75 NPC1 (0.49) TAAR1SLC6A2ESR1ESR2ADRB2
SCHEMBL21697691 0.74 NPC1 (0.51) TAAR1SLC6A2ESR1ESR2ADRB2
Pholedrine SCHEMBL119262 0.74 TAAR1 (0.63) TAAR1SLC6A2ESR1ESR2ADRB2
SCHEMBL2958028 0.74 SLC6A4 (0.63) TAAR1SLC6A2ESR1ESR2ADRB2
Pholedrine SCHEMBL15286090 0.74 TAAR1 (0.63) TAAR1SLC6A2ESR1ESR2ADRB2
Pholedrine SCHEMBL2739157 0.74 TAAR1 (0.63) TAAR1SLC6A2ESR1ESR2ADRB2

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 TAAR1 1487/4885SLC6A2 311/4885ESR1 4421/4885

“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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