SCHEMBL22348776

SCHEMBL22348776

Cc1ccc(C2(C)CCO2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
SLC6A2 P23975 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CHRND Q07001 1/20 0.41
MAOB P27338 4/20 0.38
MAOA P21397 2/20 0.38
ICMT O60725 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
ACHE P22303 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL633244 0.91 L3MBTL1 (0.35) L3MBTL1ICMTALDH1A1KDM4ECYP3A4
SCHEMBL3509939 0.81 SLC6A2 (0.47) L3MBTL1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL25686040 0.80 OPRM1 (0.36) L3MBTL1ALDH1A1CYP3A4OPRM1
SCHEMBL2082178 0.74 LMNA (0.42) L3MBTL1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL1332923 0.72 SLC6A2 (0.41) L3MBTL1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL15908233 0.71 MAOB (0.40) L3MBTL1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL12541847 0.71 L3MBTL1 (0.55) L3MBTL1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL10168756 0.71 LMNA (0.41) L3MBTL1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL2084708 0.71 SLC6A2 (0.40) L3MBTL1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL5650431 0.71 SLC6A2 (0.40) L3MBTL1CHRNA1CHRNGCHRNB1CHRNB2

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-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
US-10745389-B2 HDAC6 selective inhibitors, preparation method therefor, and application thereof CSTONE PHARMACEUTICALS (SUZHOU) CO., LTD. (CN) 2020-08-18 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-10745389-B2 HDAC6 selective inhibitors, preparation method therefor, and application thereof HDAC6, HDAC1, HDAC11 L3MBTL1 3796/4885CHRNA1 3521/4885CHRNG 4477/4885
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A L3MBTL1 3181/4885CHRNA1 191/4885CHRNG 383/4885

“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.