SCHEMBL26081078

SCHEMBL26081078

N#Cc1ccc(CC2(O)CCCCC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.44
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
DPP7 Q9UHL4 1/20 0.36
RORC P51449 1/20 0.36
CACNA1H O95180 2/20 0.35
CACNA1G O43497 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1C Q13936 1/20 0.35
CACNA1I Q9P0X4 1/20 0.35
HTR7 P34969 1/20 0.34
TRPA1 O75762 1/20 0.34
HSD11B1 P28845 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL26081079 0.82 RORC (0.38) P2RX7DPP7RORCCACNA1HCACNA1G
SCHEMBL26081246 0.78 TSHR (0.41) P2RX7USP2TSHRKCNH2HTR7
SCHEMBL10361527 0.78 USP2 (0.42) USP2TSHRTRPA1ALDH1A1
SCHEMBL26081068 0.76 TRPA1 (0.50) P2RX7USP2TSHRTRPA1L3MBTL1
SCHEMBL26081139 0.76 USP2 (0.41) P2RX7USP2TSHR
SCHEMBL26081042 0.73 KDM4E (0.41) USP2TSHRTRPA1KDM4EL3MBTL1
SCHEMBL26081076 0.72 USP2 (0.37) USP2TSHRRORCCACNA1HCACNA1G
SCHEMBL29391539 0.71 NOTUM (0.45) KDM4EALDH1A1L3MBTL1MBOAT4LMNA
SCHEMBL450944 0.71 NOTUM (0.45) KDM4EALDH1A1L3MBTL1MBOAT4LMNA
SCHEMBL26081217 0.70 P2RX7 (0.44) P2RX7USP2TSHR

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 P2RX7 2962/4885USP2 1918/4885TSHR 4693/4885

“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.