SCHEMBL4858759

SCHEMBL4858759

NC(=O)C1C(=O)Nc2ccc(C[CH]C(=O)N3CCC(N4CCCCC4)CC3)cc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 12/20 0.39
L3MBTL1 Q9Y468 12/20 0.39
MBTD1 Q05BQ5 5/20 0.39
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
ALOX15 P16050 1/20 0.36
TP53BP1 Q12888 2/20 0.36
L3MBTL4 Q8NA19 1/20 0.36
PARP1 P09874 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LRRK2 Q5S007 1/20 0.35
CYP3A4 P08684 1/20 0.35
CALCRL Q16602 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL3279492 0.74 L3MBTL3 (0.50) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL4722263 0.74 CYP3A4 (0.46) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL3314168 0.74 L3MBTL3 (0.47) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL3602706 0.74 DYRK1A (0.46) L3MBTL3L3MBTL1MBTD1ALOX15LRRK2
SCHEMBL6800821 0.74 CALCRL (0.42) L3MBTL3L3MBTL1MBTD1ALDH1A1CYP3A4
SCHEMBL4862660 0.73 HRH4 (0.44) L3MBTL3L3MBTL1MBTD1
SCHEMBL4862674 0.72 L3MBTL3 (0.38) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL3285679 0.69 L3MBTL3 (0.39) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL4855664 0.69 ALDH1A1 (0.37) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL3279010 0.69 L3MBTL3 (0.38) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4

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-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 US claimed
EP-1539766-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2005-06-15 EP 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
WO-2003104236-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-18 WO 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
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 L3MBTL3 4841/4885L3MBTL1 4593/4885MBTD1 2240/4885
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds VDAC1, HTR3B, FAAH L3MBTL3 1198/4885L3MBTL1 1646/4885MBTD1 1648/4885
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL L3MBTL3 4777/4885L3MBTL1 4765/4885MBTD1 2856/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR L3MBTL3 4841/4885L3MBTL1 4593/4885MBTD1 2240/4885

“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.