SCHEMBL6135581

SCHEMBL6135581

NC(=O)Cc1cc(C[CH]C(=O)N2CCC(N3CCCCC3)CC2)cc2oc(=O)[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 7/20 0.39
CYP3A4 P08684 6/20 0.39
L3MBTL3 Q96JM7 6/20 0.36
L3MBTL1 Q9Y468 5/20 0.36
CDYL2 Q8N8U2 4/20 0.35
CDYL Q9Y232 4/20 0.35
CBX7 O95931 3/20 0.35
CDY1; CDY1B Q9Y6F8 2/20 0.35
MBTD1 Q05BQ5 4/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL4858969 0.87 CALCRL (0.40) CALCRLCYP3A4L3MBTL3L3MBTL1CDYL2
SCHEMBL5394689 0.85 CALCRL (0.41) CALCRLCYP3A4L3MBTL3L3MBTL1CDYL2
SCHEMBL6804176 0.84 PDE3B (0.37) CALCRLL3MBTL3L3MBTL1MBTD1ALDH1A1
SCHEMBL4861348 0.80 CALCRL (0.39) CALCRLCYP3A4L3MBTL3L3MBTL1CDYL2
SCHEMBL3598608 0.80 PARP1 (0.35) CALCRLCYP3A4ALDH1A1
SCHEMBL4593019 0.80 CALCRL (0.39) CALCRLCYP3A4L3MBTL3L3MBTL1CDYL2
SCHEMBL4860518 0.80 CALCRL (0.39) CALCRLCYP3A4L3MBTL3L3MBTL1CDYL2
SCHEMBL4855630 0.80 CALCRL (0.39) CALCRLCYP3A4L3MBTL3L3MBTL1CDYL2
SCHEMBL4860278 0.80 CALCRL (0.39) CALCRLCYP3A4L3MBTL3L3MBTL1CDYL2
SCHEMBL4852142 0.79 CYP3A4 (0.42) CALCRLCYP3A4

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-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-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 (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 CALCRL 1/4885CYP3A4 3269/4885L3MBTL3 4841/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR CALCRL 1/4885CYP3A4 3269/4885L3MBTL3 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.