SCHEMBL7243170

SCHEMBL7243170

CC(C)(C)OC(=O)N1CCC(NC(=O)Cc2cccc3cocc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.47
SIGMAR1 Q99720 1/20 0.46
ALDH1A1 P00352 2/20 0.46
EPHX1 P07099 1/20 0.46
ACHE P22303 1/20 0.45
KDM4E B2RXH2 2/20 0.45
PARP1 P09874 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC4 P56524 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK8 P45983 1/20 0.42
PKM P14618 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL7243203 0.89 USP30 (0.52) GPR119ACHEPARP1MEN1KMT2A
SCHEMBL7243177 0.82 DRD2 (0.47) GPR119ALDH1A1EPHX1ACHEKDM4E
SCHEMBL29324843 0.78 GPR119 (0.51) GPR119ALDH1A1EPHX1KDM4EPARP1
SCHEMBL7243100 0.76 SIGMAR1 (0.78) SIGMAR1
SCHEMBL29324845 0.76 MAPK8 (0.45) GPR119ALDH1A1EPHX1ACHEKDM4E
SCHEMBL7243612 0.76 SIGMAR1 (0.47) SIGMAR1KDM4E
SCHEMBL7242441 0.76 CHRM1 (0.51) SIGMAR1ALDH1A1EPHX1KMT2AL3MBTL1
SCHEMBL29324842 0.76 GPR119 (0.49) GPR119SIGMAR1ALDH1A1EPHX1KDM4E
SCHEMBL7243865 0.75 SIGMAR1 (0.50) SIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL7242631 0.74 SIGMAR1 (0.54) SIGMAR1

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-20030171413-A1 Bicyclic heteroaromatic derivatives for the treatment of immune and inflammatory disorders CELLTECH R & D LIMITED (GB) 2003-09-11 US disclosed
EP-1311502-A1 BICYCLIC HETEROAROMATIC DERIVATIVES FOR THE TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS Celltech R&D Limited (GB) 2003-05-21 EP disclosed
WO-2002016353-A1 BICYCLIC HETEROAROMATIC DERIVATIVES FOR THE TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CELLTECH R & D LIMITED (GB) 2002-02-28 WO 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 (1 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-20030171413-A1 Bicyclic heteroaromatic derivatives for the treatment of immune and inflammatory disorders CCR1, CCR3, CCRL2 GPR119 2090/4885SIGMAR1 325/4885ALDH1A1 351/4885

“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.