SCHEMBL4855651

SCHEMBL4855651

COc1ncc(CC(N)C(=O)N2CCC(N3CCCCC3)CC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.45
CHRM1 P11229 2/20 0.45
ALOX15 P16050 1/20 0.44
L3MBTL3 Q96JM7 6/20 0.40
L3MBTL1 Q9Y468 5/20 0.40
MBTD1 Q05BQ5 4/20 0.40
CALCRL Q16602 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DPP4 P27487 1/20 0.39
FAP Q12884 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
OPRK1 P41145 1/20 0.39
ACHE P22303 1/20 0.38
AKT1 P31749 2/20 0.38
AKT2 P31751 2/20 0.38
AKT3 Q9Y243 2/20 0.38
OPRD1 P41143 1/20 0.38

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) DPP8CHRM1ALOX15L3MBTL3L3MBTL1
SCHEMBL30231353 0.86 DPP8 (0.45) DPP8CHRM1ALOX15L3MBTL3L3MBTL1
SCHEMBL3605986 0.77 CHRM1 (0.54) DPP8CHRM1ALOX15CALCRLDPP4
SCHEMBL29496558 0.77 CHRM1 (0.56) DPP8CHRM1ALOX15L3MBTL3L3MBTL1
SCHEMBL7012362 0.76 DPP8 (0.47) DPP8CHRM1ALOX15L3MBTL3L3MBTL1
SCHEMBL3279496 0.76 DPP8 (0.49) DPP8CHRM1ALOX15L3MBTL3L3MBTL1
SCHEMBL7012359 0.76 DPP8 (0.47) DPP8CHRM1ALOX15L3MBTL3L3MBTL1
SCHEMBL3279033 0.75 DPP8 (0.48) DPP8CHRM1ALOX15L3MBTL3L3MBTL1
SCHEMBL3960017 0.74 DPP8 (0.47) DPP8CHRM1ALOX15L3MBTL3L3MBTL1
SCHEMBL3959186 0.74 CYP3A4 (0.53) DPP8CHRM1ALOX15L3MBTL3L3MBTL1

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 12 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-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 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-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-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 (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 DPP8 3987/4885CHRM1 218/4885ALOX15 487/4885
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds VDAC1, HTR3B, FAAH DPP8 1290/4885CHRM1 448/4885ALOX15 1097/4885
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL DPP8 3272/4885CHRM1 177/4885ALOX15 224/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR DPP8 3987/4885CHRM1 218/4885ALOX15 487/4885

“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.