SCHEMBL26081079

SCHEMBL26081079

N#Cc1ccc(CC2(F)CCCCC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
P2RX7 Q99572 1/20 0.35
HTR7 P34969 1/20 0.34
GRM5 P41594 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CACNA1H O95180 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CACNA1G O43497 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 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

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
SCHEMBL26081076 0.87 USP2 (0.37) RORCGRM5LRRK2CACNA1HCACNA1G
SCHEMBL26081078 0.82 P2RX7 (0.44) RORCP2RX7HTR7DPP7CACNA1H
SCHEMBL26081245 0.78 LRRK2 (0.35) EGLN1HTR7LRRK2KCNH2MBOAT4
SCHEMBL26081069 0.76 TRPA1 (0.47) P2RX7HTR7GRM5L3MBTL1
SCHEMBL26081138 0.76 HTR1A (0.39)
SCHEMBL507552 0.71 KDM4E (0.42) GRM5KDM4EALDH1A1L3MBTL1MBOAT4
SCHEMBL30966731 0.71 KDM4E (0.42) GRM5KDM4EALDH1A1L3MBTL1MBOAT4
SCHEMBL26081216 0.70 CTSK (0.39) P2RX7
SCHEMBL26081143 0.69 HRH1 (0.37) CYP3A4CYP2D6KCNH2
SCHEMBL26081156 0.69 CYP1A2 (0.34) CYP2D6

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 RORC 317/4885EGLN1 1499/4885P2RX7 2962/4885

“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.