SCHEMBL5848129

SCHEMBL5848129

CC(C)(C)OC(=O)N1CCN(CC(=O)O)c2ccccc2C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
NAMPT P43490 4/20 0.47
LIPG Q9Y5X9 1/20 0.46
ESR2 Q92731 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
CACNA1G O43497 1/20 0.45
CACNA1H O95180 1/20 0.45
CACNA1I Q9P0X4 1/20 0.45
NR1H2 P55055 2/20 0.44
GPR119 Q8TDV5 1/20 0.43
DTYMK P23919 1/20 0.42
STS P08842 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL5849947 0.89 MAPK1 (0.52) MAPK1NAMPTLIPGESR2CHRM2
SCHEMBL5848780 0.87 CACNA1G (0.61) MAPK1NAMPTLIPGESR2CACNA1G
SCHEMBL5849968 0.86 MAPK1 (0.49) MAPK1NAMPTLIPGESR2CHRM2
SCHEMBL5848536 0.85 MAPK1 (0.53) MAPK1NAMPTLIPGESR2CHRM2
SCHEMBL5849071 0.84 MAPK1 (0.52) MAPK1NAMPTLIPGESR2CHRM2
SCHEMBL21505062 0.81 MAPK1 (0.59) MAPK1NAMPTLIPGESR2CHRM2
SCHEMBL6873040 0.78 NR1H2 (0.41) MAPK1ESR2CHRM2CHRM4CHRM1
SCHEMBL6616760 0.77 MAPK1 (0.47) MAPK1NAMPTLIPGESR2CACNA1G
SCHEMBL537598 0.77 CACNA1G (0.47) MAPK1LIPGCHRM1CACNA1GCACNA1H
SCHEMBL15522788 0.77 CACNA1G (0.49) MAPK1NAMPTLIPGESR2CACNA1G

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 572/4885NAMPT 2495/4885LIPG 1962/4885
US-20050009755-A1 Benzene-fused heteroring derivatives and pharmaceutical agents comprising the same as active ingredient BACE1, BACE2, CBS MAPK1 1583/4885NAMPT 2431/4885LIPG 1045/4885

“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.