SCHEMBL23344995

SCHEMBL23344995

CC(=O)N1CCC(C(C)(C)C)C(F)C1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.41
EPHX1 P07099 1/20 0.34
QDPR P09417 1/20 0.34
OPRL1 P41146 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA3 P32297 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
MCHR1 Q99705 1/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CHRNB4 P30926 1/20 0.32

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
SCHEMBL25676380 0.83 PDK2 (0.36)
SCHEMBL25018506 0.83 EPHX1 (0.36) EPHX2EPHX1
SCHEMBL25679328 0.81 DPP4 (0.37) DPP4DPP7CYP2D6KCNH2HRH3
SCHEMBL25676376 0.80 DPP4 (0.39) DPP4DPP7CYP2D6KCNH2HRH3
SCHEMBL16730204 0.80 EPHX2 (0.41) EPHX2EPHX1QDPRCHRNB2CHRNA3
SCHEMBL22991068 0.79 EPHX2 (0.37) EPHX2EPHX1CHRNB2CHRNA3CHRNA4
SCHEMBL22991066 0.79 EPHX2 (0.37) EPHX2EPHX1CHRNB2CHRNA3CHRNA4
SCHEMBL25450259 0.76 EPHX2 (0.39) EPHX2EPHX1QDPRCHRNB2CHRNA3
SCHEMBL23624040 0.76 EPHX2 (0.37) EPHX2EPHX1CHRNB2CHRNA3CHRNA4
SCHEMBL23624042 0.76 EPHX2 (0.37) EPHX2EPHX1CHRNB2CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-11578061-B2 Inhibitors of LRRK2 kinase Halia Therapeutics, Inc. (US) 2023-02-14 US disclosed
US-11168102-B1 Bicyclic heteroaryl compounds and uses thereof Revolution Medicines, Inc. (US) 2021-11-09 US disclosed
US-20210139517-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. 2021-05-13 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-20230183217-A1 INHIBITORS OF LRRK2 KINASE LRRK2, SNCA, PRKAR2B EPHX2 4094/4885EPHX1 3742/4885QDPR 2057/4885
US-11168102-B1 Bicyclic heteroaryl compounds and uses thereof SOS1, SOST, SOS2 EPHX2 2126/4885EPHX1 1734/4885QDPR 4001/4885
US-11578061-B2 Inhibitors of LRRK2 kinase LRRK2, SNCA, PRKAR2B EPHX2 4094/4885EPHX1 3742/4885QDPR 2057/4885
US-20210139517-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 EPHX2 1872/4885EPHX1 1111/4885QDPR 3874/4885

“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.