SCHEMBL21848993

SCHEMBL21848993

Cc1nn(C2CC2)cc1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.37
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
LRRK2 Q5S007 5/20 0.33
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
PDE4D Q08499 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
SCHEMBL17083382 0.88 LRRK2 (0.45) HCRTR1DRD2DRD4DRD3LRRK2
SCHEMBL25018461 0.79 LRRK2 (0.36) LRRK2
SCHEMBL21849260 0.79
SCHEMBL25019041 0.79 LRRK2 (0.37) LRRK2
SCHEMBL25533085 0.77 MPO (0.35) LRRK2
SCHEMBL25018462 0.77 LRRK2 (0.37) LRRK2PDE4D
SCHEMBL21258472 0.75 DRD2 (0.39) DRD2DRD4DRD3LRRK2GABRA1
SCHEMBL17173659 0.73 DRD2 (0.30) DRD2DRD4DRD3PDE4D
SCHEMBL25356330 0.72 DRD2 (0.37) DRD2DRD4DRD3LRRK2GABRA1
SCHEMBL20689124 0.72 KDM5A (0.42) DRD2DRD4DRD3LRRK2GABRA1

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 8 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-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE HALIA THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE HALIA THERAPEUTICS INC (US) 2023-06-15 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-11578061-B2 Inhibitors of LRRK2 kinase Halia Therapeutics, Inc. (US) 2023-02-14 US disclosed
US-20210179612-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-17 US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 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 (7 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-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP HCRTR1 309/4885DRD2 559/4885DRD4 1614/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP HCRTR1 422/4885DRD2 955/4885DRD4 1861/4885
US-20230183217-A1 INHIBITORS OF LRRK2 KINASE LRRK2, SNCA, PRKAR2B HCRTR1 3726/4885DRD2 1561/4885DRD4 2796/4885
US-20210179612-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 HCRTR1 4769/4885DRD2 4707/4885DRD4 4848/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP HCRTR1 309/4885DRD2 559/4885DRD4 1614/4885
US-11578061-B2 Inhibitors of LRRK2 kinase LRRK2, SNCA, PRKAR2B HCRTR1 3726/4885DRD2 1561/4885DRD4 2796/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP HCRTR1 422/4885DRD2 955/4885DRD4 1861/4885

“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.