SCHEMBL6473879

SCHEMBL6473879

CC(C)(C)[C@H](O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.52
TAAR1 Q96RJ0 4/20 0.46
SLC6A2 P23975 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
MAOA P21397 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
CYP2A6 P11509 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
SLC5A2 P31639 1/20 0.46
CYP1A2 P05177 1/20 0.45
EPHX1 P07099 1/20 0.44
SLC18A2 Q05940 1/20 0.43
CYP2D6 P10635 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL6473888 1.00 TRPA1 (0.52) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL6478746 1.00 TRPA1 (0.52) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL9421889 0.86 TRPA1 (0.48) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL1715678 0.83 SLC6A2 (0.48) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL28232705 0.82 TRPA1 (0.58) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL10563574 0.81 TRPA1 (0.47) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL10764541 0.81 TRPA1 (0.47) TRPA1TAAR1SLC6A2SIGMAR1MAOA
Hydrochloric Acid SCHEMBL9320023 0.81 SLC6A2 (0.47) TRPA1TAAR1SLC6A2SIGMAR1MAOA
SCHEMBL7145215 0.80 TAAR1 (0.52) TAAR1SLC6A2
SCHEMBL2288262 0.79 MDM2 (0.48) TRPA1CYP1A2NPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
WO-2005012209-A2 CATALYZED ENANTIOSELECTIVE TRANSFORMATION OF ALKENES UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-02-10 WO 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 (2 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-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 TRPA1 3653/4885TAAR1 1069/4885SLC6A2 339/4885
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF TRPA1 4867/4885TAAR1 4563/4885SLC6A2 3085/4885

“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.