SCHEMBL21559944

SCHEMBL21559944

Fc1ccc(C2CCCC3(CCCC3)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
LIG1 P18858 1/20 0.41
ATM Q13315 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
KDM1A O60341 3/20 0.34
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
HSD11B1 P28845 2/20 0.34
MAOB P27338 2/20 0.33
SLC6A3 Q01959 1/20 0.33
MAOA P21397 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL23713624 0.81 TRPA1 (0.41) TRPA1ESR1ESR2
SCHEMBL18899507 0.81 TRPA1 (0.45) TRPA1ATMESR1ESR2
SCHEMBL23713609 0.81 TRPA1 (0.41) TRPA1ESR1ESR2
SCHEMBL8718208 0.81 TRPA1 (0.61) TRPA1
SCHEMBL8907499 0.79 ESR2 (0.44) TRPA1ATMESR1ESR2KDM1A
SCHEMBL8907505 0.79 ESR2 (0.44) TRPA1ATMESR1ESR2KDM1A
SCHEMBL8908135 0.78 KDM1A (0.43) TRPA1ESR1ESR2KDM1ARCOR1
SCHEMBL8907343 0.75 TACR1 (0.49) TRPA1KDM1ARCOR1
SCHEMBL353495 0.75 ESR2 (0.47) ATMESR1ESR2KDM1A
SCHEMBL779666 0.75 ATM (0.46) ATMESR2KDM1APTGS2PTGS1

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-20190343819-A1 Opioid Receptor Ligands And Methods Of Using And Making Same TREVENA, INC. 2019-11-14 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-20190343819-A1 Opioid Receptor Ligands And Methods Of Using And Making Same OPRL1, OPRK1, OPRM1 TRPA1 216/4885LIG1 4517/4885ATM 4792/4885

“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.