SCHEMBL7243177

SCHEMBL7243177

CC(C)(C)OC(=O)N1CCC(NC(=O)Cc2cccc3occc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.47
HTR2A P28223 4/20 0.47
DRD3 P35462 4/20 0.47
GPR119 Q8TDV5 3/20 0.47
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
EED O75530 1/20 0.46
RBBP4 Q09028 1/20 0.46
SUZ12 Q15022 1/20 0.46
EZH2 Q15910 1/20 0.46
EPHX1 P07099 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SSTR4 P31391 1/20 0.43
ACHE P22303 1/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL7243205 0.89 USP30 (0.52) DRD2HTR2ADRD3GPR119OPRM1
SCHEMBL7243170 0.82 GPR119 (0.47) GPR119EPHX1KDM4EMEN1KMT2A
SCHEMBL30368704 0.78 DRD2 (0.52) DRD2HTR2ADRD3GPR119KDM4E
SCHEMBL15544725 0.78 DRD2 (0.52) DRD2HTR2ADRD3GPR119KDM4E
SCHEMBL29324843 0.78 GPR119 (0.51) GPR119EPHX1KDM4EMEN1KMT2A
SCHEMBL7243095 0.76 SIGMAR1 (0.71)
SCHEMBL29324845 0.76 MAPK8 (0.45) GPR119EPHX1KDM4EMEN1KMT2A
SCHEMBL7243602 0.76 DRD2 (0.52) DRD2HTR2ADRD3OPRM1OPRK1
SCHEMBL15985821 0.76 ALDH1A1 (0.45) GPR119ALDH1A1ACHEMAPT
SCHEMBL7242436 0.76 CHRM1 (0.51) DRD2HTR2ADRD3OPRM1OPRK1

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 DRD2 1053/4885HTR2A 2663/4885DRD3 324/4885

“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.