SCHEMBL29935942

SCHEMBL29935942

Cn1ccc2cc(C=O)cnc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.53
PTGER4 P35408 1/20 0.42
APP P05067 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PIK3CB P42338 1/20 0.38
CHRNA7 P36544 3/20 0.37
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
KDM4E B2RXH2 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6952609 1.00 CYP2A6 (0.53) CYP2A6PTGER4APPMEN1KMT2A
SCHEMBL3716346 0.83 APP (0.40) CYP2A6APPPIK3CBCHRNA7CACNA1G
SCHEMBL13538222 0.79 PTGER4 (0.39) CYP2A6PTGER4
SCHEMBL22683623 0.78 CYP2A6 (0.39) CYP2A6PTGER4APPPIK3CBCHRNA7
SCHEMBL5055520 0.76 PTGER4 (0.38) CYP2A6PTGER4PIK3CBPIK3CAMTOR
Cyanide SCHEMBL22130245 0.75 APP (0.36) CYP2A6APPPIK3CBCHRNA7CACNA1G
SCHEMBL3349807 0.75 PTGER4 (0.37) CYP2A6PTGER4ALDH1A1
SCHEMBL17173829 0.75 HDAC1 (0.50)
SCHEMBL46327 0.74 CCR1 (0.47) APPPIK3CBCHRNA7CACNA1GCACNA1H
SCHEMBL24345675 0.74 PTGER4 (0.40) CYP2A6PTGER4APPMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 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 (4 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP2A6 747/4885PTGER4 1203/4885APP 3457/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH CYP2A6 555/4885PTGER4 679/4885APP 3788/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP2A6 747/4885PTGER4 1203/4885APP 3457/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP CYP2A6 747/4885PTGER4 1203/4885APP 3457/4885

“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.