SCHEMBL12424962

SCHEMBL12424962

CNC(=O)OC1CCC(C(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.38
HCRTR2 O43614 10/20 0.38
CHRM1 P11229 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
SCN9A Q15858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ACHE P22303 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
OPRL1 P41146 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL10810342 0.85 EPHX1 (0.47) EPHX1CHRM1SMN1; SMN2ALDH1A1
SCHEMBL103736 0.85
Hydrochloric Acid SCHEMBL28974203 0.83
SCHEMBL26139075 0.80 HCRTR2 (0.35) EPHX1HCRTR2SMN1; SMN2ROCK2ROCK1
SCHEMBL10710365 0.78 HCRTR2 (0.33) HCRTR2SCN9AROCK2ROCK1OPRL1
SCHEMBL21807667 0.78 EPHX1 (0.41) EPHX1CHRM1SMN1; SMN2ALDH1A1
SCHEMBL12166522 0.78 EPHX1 (0.41) EPHX1CHRM1SMN1; SMN2ALDH1A1
SCHEMBL12735561 0.78 EPHX1 (0.41) EPHX1CHRM1SMN1; SMN2ALDH1A1
SCHEMBL14609349 0.78 EPHX1 (0.41) EPHX1CHRM1SMN1; SMN2ALDH1A1
SCHEMBL9747693 0.78 TSHR (0.37) HCRTR2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
WO-2020036986-A1 THIADIAZOLE IRAK4 INHIBITORS GILEAD SCIENCES, INC. (US) 2020-02-20 WO 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 EPHX1 650/4885HCRTR2 1084/4885CHRM1 778/4885
US-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 EPHX1 2632/4885HCRTR2 4619/4885CHRM1 4833/4885

“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.