SCHEMBL19337339

SCHEMBL19337339

CC(CF)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.54
▸ TAAR1 Q96RJ0 5/20 0.54
▸ SLC6A2 P23975 3/20 0.54
▸ SLC6A4 P31645 2/20 0.54
▸ SLC6A3 Q01959 2/20 0.54
▸ MAOA P21397 1/20 0.54
▸ CYP2A6 P11509 1/20 0.54
▸ ADORA2A P29274 1/20 0.54
▸ ADORA1 P30542 1/20 0.54
▸ SLC18A2 Q05940 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ TRPA1 O75762 2/20 0.48
▸ EPHX1 P07099 1/20 0.46
▸ ADRA2B P18089 1/20 0.45
▸ ADRA2C P18825 1/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ MAOB P27338 2/20 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
SCHEMBL4785594 0.85 SIGMAR1 (0.64) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL8072287 0.80 SIGMAR1 (0.58) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL199315 0.78 TRPA1 (0.57) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
Benzene SCHEMBL3082124 0.78 TRPA1 (0.57) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL28785111 0.78 SIGMAR1 (0.56) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL14022429 0.77 CYP1A2 (0.52) SIGMAR1TAAR1CYP2D6TRPA1
SCHEMBL19346773 0.77 SIGMAR1 (0.50) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL23682779 0.76 SIGMAR1 (0.54) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL94628 0.76 TAAR1 (0.54) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL7117596 0.76 ANPEP (0.56) SIGMAR1TAAR1SLC6A2SLC6A4SLC6A3

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 2 patents. 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
EP-3216796-A1 PHOSPHONIUM COMPOUND AND PRODUCTION METHOD THEREFOR Tohoku University (JP) 2017-09-13 — — EP 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 SIGMAR1 3108/4885TAAR1 1487/4885SLC6A2 311/4885

“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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