SCHEMBL5871186

SCHEMBL5871186

CC(C)(C)OC(=O)n1cc(-c2ccc(F)cc2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
PIM1 P11309 1/20 0.50
MARK3 P27448 1/20 0.50
MAP4K2 Q12851 1/20 0.50
CAMK2B Q13554 1/20 0.50
PIM3 Q86V86 1/20 0.50
PIM2 Q9P1W9 1/20 0.50
BRD4 O60885 1/20 0.48
CREBBP Q92793 1/20 0.48
HTT P42858 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
ACHE P22303 1/20 0.43
EPHX1 P07099 1/20 0.42
PDE10A Q9Y233 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
HTR6 P50406 1/20 0.39

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
SCHEMBL22468928 0.84 KMT2A (0.49) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL121793 0.82 PTGS1 (0.41) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL27257521 0.81 L3MBTL1 (0.53) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL30620463 0.81 L3MBTL1 (0.50) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL28558504 0.81 L3MBTL1 (0.57) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL23496956 0.81 L3MBTL1 (0.53) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL30719630 0.81 L3MBTL1 (0.53) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL145542 0.80 PTGS1 (0.45) HTTKMT2AMEN1KDM4EALDH1A1
SCHEMBL7498775 0.79 PTGS2 (0.38) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL31070592 0.78 L3MBTL1 (0.47) L3MBTL1PIM1MARK3MAP4K2CAMK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102325753-B Carbazole carboxamide compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO 2014-09-10 CN disclosed
US-7071201-B2 Serotonin antagonism; muscle relaxant for myotonia; such as 1-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)-7-methoxy-1,2,3,4 -tetrahydroquinoline EISAI CO., LTD. (JP) 2006-07-04 US disclosed
CN-1204121-C 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2005-06-01 CN disclosed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP disclosed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US disclosed
US-6448243-B1 SEROTONIN ANTAGONIST FOR TREATING, AMELIORATING AND PREVENTING SPASTIC PARALYSIS OR CENTRAL MUSCLE RELAXANTS FOR AMELIORATING MYOTONIA EISAI CO., LTD. (JP) 2002-09-10 US disclosed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 US disclosed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US disclosed
CN-1253547-A 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2000-05-17 CN disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP 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-20020019531-A1 Indoles INMT, MUSK, MB L3MBTL1 690/4885PIM1 2604/4885MARK3 1342/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 L3MBTL1 876/4885PIM1 3989/4885MARK3 1851/4885

“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.