SCHEMBL6808411

SCHEMBL6808411

NC(=O)c1c(C[CH]C(=O)N2CCC(N3CCCCC3)CC2)ccc2[nH]c(=O)[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
L3MBTL3 Q96JM7 15/20 0.38
L3MBTL1 Q9Y468 13/20 0.38
MBTD1 Q05BQ5 5/20 0.38
TP53BP1 Q12888 2/20 0.36
L3MBTL4 Q8NA19 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 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
SCHEMBL6798879 0.84 LRRK2 (0.39) PDE3BPDE3AL3MBTL3L3MBTL1MBTD1
SCHEMBL4860343 0.79 L3MBTL3 (0.41) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL4594198 0.79 PDE3B (0.38) PDE3BPDE3AL3MBTL3L3MBTL1MBTD1
SCHEMBL6804176 0.77 PDE3B (0.37) PDE3BPDE3AL3MBTL3L3MBTL1MBTD1
SCHEMBL4861348 0.74 CALCRL (0.39) L3MBTL3L3MBTL1MBTD1
SCHEMBL4860278 0.73 CALCRL (0.39) L3MBTL3L3MBTL1MBTD1L3MBTL4
SCHEMBL4855630 0.73 CALCRL (0.39) L3MBTL3L3MBTL1MBTD1L3MBTL4
SCHEMBL4860518 0.73 CALCRL (0.39) L3MBTL3L3MBTL1MBTD1
SCHEMBL4593019 0.73 CALCRL (0.39) L3MBTL3L3MBTL1MBTD1
SCHEMBL4862660 0.72 HRH4 (0.44) 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 4 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
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-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 PDE3B 664/4885PDE3A 728/4885L3MBTL3 4841/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR PDE3B 664/4885PDE3A 728/4885L3MBTL3 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.