SCHEMBL7243602

SCHEMBL7243602

CC(CCN1CCC(NC(=O)Cc2cccc3occc23)CC1)CC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 16/20 0.52
HTR2A P28223 16/20 0.52
DRD3 P35462 16/20 0.52
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
SIGMAR1 Q99720 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
SCHEMBL7243612 0.84 SIGMAR1 (0.47) DRD2HTR2ADRD3OPRM1OPRK1
SCHEMBL7242535 0.79 SIGMAR1 (0.52) DRD2HTR2ADRD3OPRM1OPRK1
SCHEMBL7243853 0.79 DRD2 (0.48) DRD2HTR2ADRD3OPRM1OPRK1
SCHEMBL7243095 0.77 SIGMAR1 (0.71) SIGMAR1
SCHEMBL7242622 0.77 DRD2 (0.50) DRD2HTR2ADRD3OPRM1OPRK1
SCHEMBL7243177 0.76 DRD2 (0.47) DRD2HTR2ADRD3OPRM1OPRK1
SCHEMBL7243547 0.73 SIGMAR1 (0.51) DRD2HTR2ADRD3SIGMAR1
SCHEMBL7242874 0.73 DRD2 (0.45) DRD2HTR2ADRD3OPRM1OPRK1
SCHEMBL7242868 0.73 DRD2 (0.45) DRD2HTR2ADRD3OPRM1OPRK1
SCHEMBL7243042 0.73 DRD2 (0.50) 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 4 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 claimed
EP-1311502-A1 BICYCLIC HETEROAROMATIC DERIVATIVES FOR THE TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS Celltech R&D Limited (GB) 2003-05-21 EP claimed
WO-2002016353-A1 BICYCLIC HETEROAROMATIC DERIVATIVES FOR THE TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CELLTECH R & D LIMITED (GB) 2002-02-28 WO claimed
US-20030171413-A1 Bicyclic heteroaromatic derivatives for the treatment of immune and inflammatory disorders CELLTECH R & D LIMITED (GB) 2003-09-11 US 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.