Sugi Predict

Sugi Predict / Compounds / SCHEMBL6803718

SCHEMBL6803718

SCHEMBL6803718

CCc1cc(C[CH]C(=O)N2CCC(N3CCCCC3)CC2)cc2c1[nH]c(=O)n2C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ L3MBTL3 Q96JM7 6/20 0.34
▸ L3MBTL1 Q9Y468 5/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ MBTD1 Q05BQ5 4/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CALCRL Q16602 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ G6PD P11413 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CACNA1B Q00975 1/20 0.33
▸ APBA1 Q02410 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CHRM2 P08172 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
SCHEMBL6797975 0.88 CYP3A4 (0.38) KDM4EL3MBTL3L3MBTL1MBTD1CYP3A4
SCHEMBL6800821 0.83 CALCRL (0.42) KDM4EL3MBTL3L3MBTL1MBTD1CYP3A4
SCHEMBL4593241 0.79 KDM4E (0.37) KDM4EL3MBTL3L3MBTL1MBTD1CALCRL
SCHEMBL4855835 0.77 CYP3A4 (0.38) KDM4EL3MBTL3L3MBTL1TLR9TLR8
SCHEMBL6804176 0.75 PDE3B (0.37) KDM4EL3MBTL3L3MBTL1MBTD1CALCRL
SCHEMBL6135581 0.73 CALCRL (0.39) L3MBTL3L3MBTL1MBTD1CYP3A4CALCRL
SCHEMBL4594198 0.72 PDE3B (0.38) KDM4EL3MBTL3L3MBTL1MBTD1ALDH1A1
SCHEMBL5659279 0.72 CYP3A4 (0.42) CYP3A4CALCRL
SCHEMBL4587306 0.72 CYP3A4 (0.41) KDM4ECYP3A4CALCRLCHRM1
SCHEMBL5657714 0.72 CYP3A4 (0.42) CYP3A4CALCRL

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 5 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-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 KDM4E 4815/4885L3MBTL3 4841/4885L3MBTL1 4593/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR KDM4E 4815/4885L3MBTL3 4841/4885L3MBTL1 4593/4885

“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.