SCHEMBL4593241

SCHEMBL4593241

Cn1c(=O)[nH]c2c(C(N)=O)cc(C[CH]C(=O)N3CCC(N4CCCCC4)CC3)cc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
PARP1 P09874 6/20 0.36
L3MBTL3 Q96JM7 4/20 0.36
PARP2 Q9UGN5 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
PARP3 Q9Y6F1 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MBTD1 Q05BQ5 3/20 0.34
BTK Q06187 3/20 0.34
KCNH2 Q12809 1/20 0.34
CALCRL Q16602 2/20 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 0.82 PDE3B (0.38) KDM4EPARP1L3MBTL3PARP2L3MBTL1
SCHEMBL4858969 0.81 CALCRL (0.40) PARP1L3MBTL3PARP2L3MBTL1MBTD1
SCHEMBL6803718 0.79 KDM4E (0.35) KDM4EL3MBTL3L3MBTL1SMN1; SMN2MBTD1
SCHEMBL6797975 0.78 CYP3A4 (0.38) KDM4EPARP1L3MBTL3L3MBTL1MBTD1
SCHEMBL3590858 0.78 CALCA (0.43) CALCRL
SCHEMBL4720815 0.75 L3MBTL3 (0.41) L3MBTL3L3MBTL1MBTD1
SCHEMBL4852839 0.75 L3MBTL3 (0.34) L3MBTL3L3MBTL1MBTD1BTKCALCRL
SCHEMBL4722263 0.75 CYP3A4 (0.46) PARP1L3MBTL3L3MBTL1MBTD1KCNH2
SCHEMBL3279492 0.75 L3MBTL3 (0.50) KDM4EL3MBTL3L3MBTL1MBTD1
SCHEMBL3314168 0.75 L3MBTL3 (0.47) L3MBTL3L3MBTL1MBTD1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539766-B1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP claimed
EP-1689493-A4 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-04-23 EP claimed
EP-1689493-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Pharma Company (US) 2006-08-16 EP claimed
WO-2005065779-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 WO 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-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 (2 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 KDM4E 4815/4885PARP1 1708/4885L3MBTL3 4841/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR KDM4E 4815/4885PARP1 1708/4885L3MBTL3 4841/4885

“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.