SCHEMBL3598754

SCHEMBL3598754

NC(Cn1ccc(OCc2ccccc2)cc1=O)C(=O)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
CHRM1 P11229 2/20 0.47
MAPK14 Q16539 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
MCHR1 Q99705 10/20 0.46
DPP8 Q6V1X1 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
CALCRL Q16602 1/20 0.43
ACHE P22303 1/20 0.43
KCNH2 Q12809 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
SCHEMBL4586291 0.83 DPP8 (0.47) ALOX15CHRM1DPP8
SCHEMBL3602692 0.82 MCHR1 (0.42) ALOX15CHRM1MAPK14MCHR1CALCRL
SCHEMBL8190798 0.80 DPP7 (0.59) ALOX15CHRM1DPP7DPP8HRH3
SCHEMBL14503767 0.80 CALCRL (0.51) CALCRL
SCHEMBL3751475 0.78 CALCRL (0.63) CALCRL
SCHEMBL18324530 0.77 CACNA1B (0.45) CALCRL
SCHEMBL3605986 0.73 CHRM1 (0.54) ALOX15CHRM1DPP7DPP8CALCRL
SCHEMBL16670343 0.71 MAPK14 (0.50) MAPK14MCHR1HRH3KCNH2
SCHEMBL7345176 0.71 CACNA1B (0.57) DPP7CALCRL
SCHEMBL3591166 0.70 SPHK1 (0.46) MAPK14MCHR1KCNH2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314883-B2 Anti-migraine treatments BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-01 US claimed
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 US claimed
EP-1539766-B1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
US-7754732-B2 Spirocyclic anti-migraine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-13 US disclosed
US-7314883-B2 Anti-migraine treatments BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-01 US disclosed
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-04 US disclosed
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-20070149502-A1 SPIROCYCLIC ANTI-MIGRAINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2007-06-28 US disclosed
US-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 US disclosed
US-20040063735-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 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 (4 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-20040063735-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR ALOX15 487/4885CHRM1 218/4885MAPK14 1736/4885
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds VDAC1, HTR3B, FAAH ALOX15 1097/4885CHRM1 448/4885MAPK14 3092/4885
US-20070149502-A1 SPIROCYCLIC ANTI-MIGRAINE COMPOUNDS CALCRL, CALCR, CALCA ALOX15 603/4885CHRM1 435/4885MAPK14 1522/4885
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL ALOX15 224/4885CHRM1 177/4885MAPK14 1522/4885

“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.