SCHEMBL26081076

SCHEMBL26081076

N#Cc1ccc(CC2(F)CCNCC2)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
LRRK2 Q5S007 3/20 0.35
MAPKAPK2 P49137 1/20 0.35
CYP2D6 P10635 2/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM1A O60341 4/20 0.33
RORC P51449 1/20 0.33
RIPK3 Q9Y572 1/20 0.33
GRM5 P41594 1/20 0.33
CACNA1H O95180 2/20 0.33
CACNA1G O43497 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1C Q13936 1/20 0.33
CACNA1I Q9P0X4 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 0.87 RORC (0.38) LRRK2CYP2D6RORCGRM5CACNA1H
SCHEMBL24484733 0.80 DAO (0.35) LRRK2KDM1A
SCHEMBL24484278 0.79 TRPA1 (0.39) MAPKAPK2KDM1A
SCHEMBL24485259 0.79 HTR1A (0.38) CYP2D6
SCHEMBL24484692 0.78 LRRK2 (0.37) USP2LRRK2MAPKAPK2KCNH2MAOB
SCHEMBL14782795 0.77 LRRK2 (0.41) USP2LRRK2KDM1AKCNH2
SCHEMBL12686755 0.77 MAPKAPK2 (0.39) USP2MAPKAPK2CYP2D6TSHRSMN1; SMN2
SCHEMBL24484737 0.77 DAO (0.39) CYP2D6TSHRKDM1ACYP3A4KCNH2
SCHEMBL26081206 0.76 USP2 (0.51) USP2MAPKAPK2CYP2D6TSHRSMN1; SMN2
SCHEMBL14790128 0.76 USP2 (0.35) USP2MAPKAPK2CYP2D6TSHRSMN1; SMN2

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 2 patents. 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
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 USP2 1918/4885LRRK2 3657/4885MAPKAPK2 1367/4885

“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.