SCHEMBL24212386

SCHEMBL24212386

CC(C)NCc1cc(O)c2c(c1)OC(C)(C)c1ccccc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 16/20 0.50
▸ CNR1 P21554 11/20 0.50
▸ TRPA1 O75762 2/20 0.50
▸ TRPV1 Q8NER1 2/20 0.50
▸ TRPV3 Q8NET8 2/20 0.50
▸ TRPV4 Q9HBA0 2/20 0.50
▸ TRPV2 Q9Y5S1 2/20 0.50
▸ CYP1A2 P05177 2/20 0.47
▸ CYP1A1 P04798 1/20 0.47
▸ CYP2A6 P11509 1/20 0.47
▸ CYP2B6 P20813 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ CYP2J2 P51589 1/20 0.47
▸ CYP1B1 Q16678 1/20 0.47
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33

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
SCHEMBL24212712 0.83 CNR2 (0.43) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL20825151 0.80 CNR2 (0.75) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL31546065 0.80 CNR2 (0.75) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL31545705 0.78 CNR2 (0.71) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL24335024 0.77 CNR2 (0.77) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL30641143 0.70 PDK2 (0.45) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL24714645 0.70 CNR2 (0.78) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL29814936 0.70 CNR2 (0.78) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL13214141 0.69 CNR2 (0.81) CNR2CNR1TRPA1TRPV1TRPV3
SCHEMBL29814933 0.69 CNR2 (0.81) CNR2CNR1TRPA1TRPV1TRPV3

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-20220017482-A1 Synthetic Antibacterial Compounds and Uses Thereof UNIV MCMASTER (CA) 2022-01-20 — — 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-20220017482-A1 Synthetic Antibacterial Compounds and Uses Thereof SPOUT1, NRDC, MRPL21 CNR2 4460/4885CNR1 4339/4885TRPA1 3674/4885

“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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