SCHEMBL6134673

SCHEMBL6134673

NC(=O)C1CCCC[N+]1(C(=O)[CH]Cn1ccc(OCc2ccccc2)cc1=O)C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.41
MCHR1 Q99705 12/20 0.40
SPHK2 Q9NRA0 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL7365918 0.83 KCNH2 (0.42) SPHK1KCNH2
SCHEMBL3591166 0.69 SPHK1 (0.46) MAPK14MCHR1SPHK2SPHK1KCNH2
SCHEMBL4601498 0.66 MCHR1 (0.39) MAPK14MCHR1KCNH2
SCHEMBL4489978 0.66 MAPK14 (0.68) MAPK14MCHR1
SCHEMBL1522893 0.64 MAPK14 (0.65) MAPK14MCHR1KCNH2
SCHEMBL1040149 0.64 MAPK14 (0.68) MAPK14MCHR1KCNH2
SCHEMBL4045555 0.63 MAPK14 (0.72) MAPK14MCHR1
Trifluoroacetic Acid SCHEMBL4470437 0.63 MAPK14 (0.48) MAPK14MCHR1KCNH2
SCHEMBL4045768 0.62 MCHR1 (0.59) MAPK14MCHR1
SCHEMBL2177074 0.62 MAPK14 (1.00) MAPK14MCHR1

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
EP-1539766-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2005-06-15 EP claimed
WO-2003104236-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-18 WO claimed
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 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-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR MAPK14 1736/4885MCHR1 220/4885SPHK2 1139/4885

“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.