SCHEMBL25527654

SCHEMBL25527654

Cn1ccc2ccnc(C(C)(C)C)c21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.34
SRC P12931 1/20 0.34
MAPT P10636 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
PIK3CB P42338 1/20 0.33
SCN9A Q15858 1/20 0.30

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
SCHEMBL18125594 0.81 CYP3A4 (0.33) CYP3A4TSHRCYP2C19
SCHEMBL19117686 0.75 CYP2A6 (0.41) MAPTPIK3CBSCN9A
SCHEMBL23346951 0.73 PIK3CB (0.42) ABL1SRCMAPTPIK3CB
SCHEMBL3570930 0.73 RXFP1 (0.35) MAPTCYP3A4PIK3CBSCN9A
SCHEMBL18534997 0.73 PIK3CB (0.34) MAPTPIK3CBSCN9A
SCHEMBL29777078 0.73 PIK3CB (0.34) MAPTCYP2C19PIK3CBSCN9A
SCHEMBL29942174 0.73 RXFP1 (0.35) MAPTCYP3A4PIK3CBSCN9A
SCHEMBL20987529 0.73 PIK3CB (0.38) ABL1SRCMAPTPIK3CBSCN9A
SCHEMBL22863238 0.73 PIK3CB (0.34) MAPTCYP2C19PIK3CBSCN9A
SCHEMBL21894120 0.73 CDC7 (0.32) CYP3A4TSHRCYP2C19

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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ABL1 3943/4885SRC 3746/4885MAPT 2516/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ABL1 3943/4885SRC 3746/4885MAPT 2516/4885

“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.