SCHEMBL5849968

SCHEMBL5849968

CCOC(=O)CN1CCN(C(=O)OC(C)(C)C)Cc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
NAMPT P43490 3/20 0.43
ESR2 Q92731 1/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALOX15 P16050 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
MEN1 O00255 1/20 0.42
LIPG Q9Y5X9 1/20 0.41
NOTUM Q6P988 1/20 0.41
NR1H2 P55055 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TMEM97 Q5BJF2 1/20 0.40

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
SCHEMBL5848129 0.86 MAPK1 (0.53) MAPK1NAMPTESR2KDM4ECHRM2
SCHEMBL5849947 0.85 MAPK1 (0.52) MAPK1ALDH1A1MAPTNAMPTESR2
SCHEMBL5848536 0.81 MAPK1 (0.53) MAPK1NAMPTESR2CHRM2CHRM4
SCHEMBL3427103 0.81 DPP4 (0.51) MAPK1GAAALDH1A1NAMPTKMT2A
SCHEMBL5849071 0.81 MAPK1 (0.52) MAPK1NAMPTESR2CHRM2CHRM4
SCHEMBL5848780 0.81 CACNA1G (0.61) MAPK1NAMPTESR2LIPGNR1H2
SCHEMBL21505062 0.77 MAPK1 (0.59) MAPK1ALDH1A1MAPTNAMPTESR2
SCHEMBL5660336 0.77 NOTUM (0.61) GAASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL30597010 0.76 ALDH1A1 (0.46) GAASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL12342818 0.76 ALDH1A1 (0.49) GAASMN1; SMN2ALDH1A1MAPTKMT2A

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-7008938-B2 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient NOKIA CORPORATION (FI) 2006-03-07 US disclosed
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient ONO PHARMACEUTICAL CO., LTD. 2005-01-13 US disclosed
US-6809092-B2 1,3,4,5-TETRAHYDRO-2H-2-BENZAZEPIN-2-YL DERIVATIVES; CYSTEINE PROTEASE INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2004-10-26 US disclosed
US-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient NOKIA CORPORATION (FI) 2003-08-28 US disclosed
EP-1254898-A1 BENZENE-FUSED HETEROCYCLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 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-20030162964-A1 Benzene-fused heterocycle derivatives and drugs containing the same as the active ingredient BACH1, BACE1, CMA1 MAPK1 572/4885GAA 616/4885SMN1; SMN2 35/4885
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient BACE1, BACE2, CBS MAPK1 1583/4885GAA 349/4885SMN1; SMN2 31/4885

“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.