SCHEMBL3605986

SCHEMBL3605986

NC(Cc1ccc(OCc2ccccc2)nc1)C(=O)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.54
ALOX15 P16050 1/20 0.51
DPP8 Q6V1X1 1/20 0.47
DPP7 Q9UHL4 3/20 0.46
CALCRL Q16602 2/20 0.43
ACHE P22303 1/20 0.42
OPRD1 P41143 2/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
DPP4 P27487 1/20 0.41
KCNH2 Q12809 1/20 0.41
OPRK1 P41145 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL4593526 0.86 DPP8 (0.45) CHRM1ALOX15DPP8DPP7CALCRL
SCHEMBL30231353 0.86 DPP8 (0.45) CHRM1ALOX15DPP8DPP7CALCRL
SCHEMBL8190798 0.86 DPP7 (0.59) CHRM1ALOX15DPP8DPP7CALCRL
SCHEMBL29496558 0.78 CHRM1 (0.56) CHRM1ALOX15DPP8CALCRLOPRD1
SCHEMBL4855651 0.77 DPP8 (0.45) CHRM1ALOX15DPP8DPP7CALCRL
SCHEMBL3754411 0.76 CALCRL (0.71) CALCRLCYP3A4
SCHEMBL7366398 0.75 DPP7 (0.71) DPP8DPP7DPP4
SCHEMBL3598754 0.73 ALOX15 (0.48) CHRM1ALOX15DPP8DPP7CALCRL
SCHEMBL29496465 0.73 CHRM1 (0.58) CHRM1ALOX15DPP8ACHEOPRD1
SCHEMBL7371920 0.72 NPC1 (0.58) DPP8DPP7OPRD1DPP4

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 13 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
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 US claimed
US-20040063735-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 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-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 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 (5 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 CHRM1 218/4885ALOX15 487/4885DPP8 3987/4885
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds VDAC1, HTR3B, FAAH CHRM1 448/4885ALOX15 1097/4885DPP8 1290/4885
US-20070149502-A1 SPIROCYCLIC ANTI-MIGRAINE COMPOUNDS CALCRL, CALCR, CALCA CHRM1 435/4885ALOX15 603/4885DPP8 4025/4885
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL CHRM1 177/4885ALOX15 224/4885DPP8 3272/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR CHRM1 218/4885ALOX15 487/4885DPP8 3987/4885

“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.