SCHEMBL26081068

SCHEMBL26081068

OC1(Cc2ccc(Cl)cn2)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.50
P2RX7 Q99572 4/20 0.43
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.35
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 1/20 0.34
SLC6A2 P23975 1/20 0.34
GRM5 P41594 1/20 0.34
PTK2 Q05397 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
DAO P14920 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR1A P08908 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
SCHEMBL25387056 0.84 DRD2 (0.44) TRPA1P2RX7TSHRL3MBTL1SLC6A4
SCHEMBL31283719 0.84 DRD2 (0.44) TRPA1P2RX7TSHRL3MBTL1SLC6A4
SCHEMBL10361527 0.81 USP2 (0.42) TRPA1USP2TSHRSLC6A4SLC6A3
SCHEMBL26081139 0.80 USP2 (0.41) P2RX7USP2TSHRHTR1A
SCHEMBL26081069 0.80 TRPA1 (0.47) TRPA1P2RX7L3MBTL1SLC6A4SLC6A3
SCHEMBL26081174 0.78 USP2 (0.39) TRPA1P2RX7USP2TSHR
SCHEMBL26081213 0.77 USP2 (0.41) TRPA1P2RX7USP2TSHRSLC6A4
SCHEMBL26081078 0.76 P2RX7 (0.44) TRPA1P2RX7USP2TSHRL3MBTL1
SCHEMBL26081042 0.76 KDM4E (0.41) TRPA1USP2TSHRL3MBTL1TDP1
SCHEMBL26081247 0.75 USP2 (0.44) TRPA1P2RX7USP2TSHRL3MBTL1

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-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 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-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF CYP46A1, CYP26A1, CYP4A22 TRPA1 3975/4885P2RX7 2962/4885USP2 1918/4885

“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.