SCHEMBL4852839

SCHEMBL4852839

N#Cc1c[nH]c2c(C(N)=O)cc(C[CH]C(=O)N3CCC(N4CCCCC4)CC3)cc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 7/20 0.34
L3MBTL1 Q9Y468 6/20 0.34
HRH3 Q9Y5N1 2/20 0.34
KDR P35968 1/20 0.34
BTK Q06187 1/20 0.33
DRD4 P21917 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR1D P28221 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MBTD1 Q05BQ5 4/20 0.33
TP53BP1 Q12888 2/20 0.33
IKBKB O14920 2/20 0.33
CDC42BPB Q9Y5S2 1/20 0.33
MAP3K5 Q99683 1/20 0.33

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
SCHEMBL4594198 0.77 PDE3B (0.38) L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL3590858 0.76 CALCA (0.43) CALCRLCALCA
SCHEMBL4858969 0.76 CALCRL (0.40) L3MBTL3L3MBTL1HRH3MBTD1TP53BP1
SCHEMBL4593241 0.75 KDM4E (0.37) L3MBTL3L3MBTL1BTKMBTD1CALCRL
SCHEMBL4720815 0.74 L3MBTL3 (0.41) L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL4855664 0.74 ALDH1A1 (0.37) L3MBTL3L3MBTL1MBTD1TP53BP1CALCRL
SCHEMBL4722263 0.73 CYP3A4 (0.46) L3MBTL3L3MBTL1HRH3MBTD1TP53BP1
SCHEMBL3314168 0.73 L3MBTL3 (0.47) L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL4593670 0.73 MAP3K5 (0.39) BTKIKBKBMAP3K5
SCHEMBL4852842 0.72 CALCA (0.47) CALCRLCALCA

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 9 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20070148093-A1 Non-terminal method of identifying anti-migraine compounds VDAC1, HTR3B, FAAH L3MBTL3 1198/4885L3MBTL1 1646/4885HRH3 178/4885
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL L3MBTL3 4777/4885L3MBTL1 4765/4885HRH3 60/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR L3MBTL3 4841/4885L3MBTL1 4593/4885HRH3 126/4885

“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.