SCHEMBL4862674

SCHEMBL4862674

NC(=O)c1nc2cc(C[CH]C(=O)N3CCC(N4CCCCC4)CC3)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 10/20 0.38
L3MBTL1 Q9Y468 9/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
MBTD1 Q05BQ5 5/20 0.37
TP53BP1 Q12888 1/20 0.36
L3MBTL4 Q8NA19 1/20 0.36
CYP3A4 P08684 1/20 0.36
CALCRL Q16602 1/20 0.36
LMNA P02545 2/20 0.35
PARP1 P09874 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL4862660 0.83 HRH4 (0.44) L3MBTL3L3MBTL1MBTD1
SCHEMBL3602706 0.79 DYRK1A (0.46) L3MBTL3L3MBTL1MBTD1CYP3A4CALCRL
SCHEMBL6800821 0.77 CALCRL (0.42) L3MBTL3L3MBTL1MBTD1CYP3A4CALCRL
SCHEMBL4855664 0.76 ALDH1A1 (0.37) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL3314168 0.76 L3MBTL3 (0.47) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL4722263 0.76 CYP3A4 (0.46) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL3279492 0.76 L3MBTL3 (0.50) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL5661005 0.75 CALCRL (0.44) CYP3A4CALCRL
SCHEMBL5659183 0.75 CALCRL (0.44) CYP3A4CALCRL
SCHEMBL5659618 0.75 ACACB (0.37) L3MBTL3L3MBTL1MBTD1CYP3A4CALCRL

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 11 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
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 4593/4885PDE3B 664/4885
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds VDAC1, HTR3B, FAAH L3MBTL3 1198/4885L3MBTL1 1646/4885PDE3B 439/4885
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL L3MBTL3 4777/4885L3MBTL1 4765/4885PDE3B 137/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR L3MBTL3 4841/4885L3MBTL1 4593/4885PDE3B 664/4885

“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.