SCHEMBL23713609

SCHEMBL23713609

Nc1ccc(C2CCCC3(CCCC3)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC18A3 Q16572 1/20 0.38
ESR2 Q92731 2/20 0.35
ESR1 P03372 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
CYP19A1 P11511 4/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL18899507 0.81 TRPA1 (0.45) TRPA1ALDH1A1SLC18A3ESR2ESR1
SCHEMBL21559944 0.81 TRPA1 (0.41) TRPA1ESR2ESR1
SCHEMBL23713624 0.81 TRPA1 (0.41) TRPA1ESR2ESR1
SCHEMBL8718208 0.81 TRPA1 (0.61) TRPA1SLC18A3
SCHEMBL23713634 0.80 TRPA1 (0.41) TRPA1DDB1CRBNKDM4EMAPT
SCHEMBL3484987 0.75 SLC18A3 (0.52) ALDH1A1SLC18A3ESR2ESR1DDB1
SCHEMBL1064153 0.75 SLC18A3 (0.56) L3MBTL1SLC18A3ESR2KDM4EMAPT
SCHEMBL23192020 0.73 SLC18A3 (0.55) ALDH1A1L3MBTL1SLC18A3ESR2KDM4E
SCHEMBL21449754 0.73 SLC18A3 (0.55) ALDH1A1L3MBTL1SLC18A3ESR2KDM4E
SCHEMBL22291709 0.73 SLC18A3 (0.55) ALDH1A1L3MBTL1SLC18A3ESR2KDM4E

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-11077098-B2 Opioid receptor ligands and methods of using and making same TREVENA, INC. (US) 2021-08-03 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-11077098-B2 Opioid receptor ligands and methods of using and making same OPRL1, OPRK1, OPRM1 TRPA1 216/4885ALDH1A1 1225/4885L3MBTL1 1762/4885

“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.