SCHEMBL12384367

SCHEMBL12384367

Cn1ccc(CCC(C)(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.42
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
KCNH2 Q12809 11/20 0.36
GRIN2B Q13224 1/20 0.36
KMT2A Q03164 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
KEAP1 Q14145 1/20 0.33
NR1I2 O75469 1/20 0.33
GRM2 Q14416 1/20 0.33
LRRK2 Q5S007 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NAMPT P43490 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
SCHEMBL21025402 0.84 EPHX2 (0.34) EPHX2DDB1CRBNKCNH2GRIN2B
SCHEMBL24967869 0.81 EPHX2 (0.34) EPHX2DDB1CRBNKCNH2GRIN2B
SCHEMBL21025294 0.80 EPHX2 (0.32) EPHX2KCNH2
SCHEMBL1911585 0.79 EPHX2 (0.41) EPHX2DDB1CRBNKCNH2GRIN2B
SCHEMBL20346984 0.78 CYP4F2 (0.39)
SCHEMBL294282 0.77
SCHEMBL25713784 0.76 DAO (0.32)
SCHEMBL25646050 0.74 EPHX2 (0.41) EPHX2DDB1CRBNKCNH2GRIN2B
SCHEMBL15307244 0.74 OPRM1 (0.38) EPHX2DDB1CRBNKCNH2GRIN2B
SCHEMBL293826 0.73 CYP19A1 (0.46) EPHX2DDB1CRBNKCNH2GRIN2B

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-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2023-01-26 US disclosed
WO-2021097054-A1 6-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING DISEASES AND CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY GENZYME CORPORATION (US) 2021-05-20 WO disclosed
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 EPHX2 669/4885DDB1 753/4885CRBN 1160/4885
US-20230022157-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT FACTOR D MEDICAL DISORDERS CFD, CFH, TFPI EPHX2 2059/4885DDB1 2922/4885CRBN 2214/4885

“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.