SCHEMBL7242537

SCHEMBL7242537

CC(Cc1ccccc1)CN1CCC(NC(=O)Cc2cccc3cocc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 19/20 0.57
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 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
SCHEMBL7243100 0.85 SIGMAR1 (0.78) SIGMAR1
SCHEMBL7243865 0.84 SIGMAR1 (0.50) SIGMAR1
SCHEMBL7242535 0.83 SIGMAR1 (0.52) SIGMAR1GRIN2DGRIN3BADRA1DADRA1A
SCHEMBL7242631 0.79 SIGMAR1 (0.54) SIGMAR1
SCHEMBL7243612 0.79 SIGMAR1 (0.47) SIGMAR1
SCHEMBL7247975 0.76 OPRM1 (0.48) SIGMAR1GRIN2DGRIN3BADRA1DADRA1A
SCHEMBL7242441 0.75 CHRM1 (0.51) SIGMAR1
Hydrochloric Acid SCHEMBL7250528 0.74 CHRM1 (0.50) SIGMAR1
SCHEMBL7243054 0.73 SIGMAR1 (0.47) SIGMAR1
SCHEMBL7248520 0.73 SIGMAR1 (0.49) 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 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 SIGMAR1 325/4885GRIN2D 1925/4885GRIN3B 1813/4885

“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.