Sugi Predict

Sugi Predict / Compounds / SCHEMBL4855835

SCHEMBL4855835

SCHEMBL4855835

CCc1cc(C[CH]C(=O)N2CCC(N3CCCCC3)CC2)cc2c(C(N)=O)n[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.38
▸ CALCRL Q16602 1/20 0.38
▸ RAB9A P51151 1/20 0.34
▸ EGFR P00533 2/20 0.34
▸ L3MBTL3 Q96JM7 5/20 0.34
▸ L3MBTL1 Q9Y468 4/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ SMYD2 Q9NRG4 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ MBTD1 Q05BQ5 4/20 0.33
▸ WNT1 P04628 1/20 0.33
▸ CLK2 P49760 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
SCHEMBL6135494 0.88 L3MBTL3 (0.35) CYP3A4CALCRLRAB9AL3MBTL3L3MBTL1
SCHEMBL4857017 0.88 LRRK2 (0.38) CYP3A4CALCRLL3MBTL3L3MBTL1CYP2D6
SCHEMBL3602706 0.83 DYRK1A (0.46) CYP3A4CALCRLL3MBTL3L3MBTL1MBTD1
SCHEMBL5658637 0.78 RBP4 (0.31) —
SCHEMBL6803718 0.77 KDM4E (0.35) CYP3A4CALCRLL3MBTL3L3MBTL1TLR9
SCHEMBL5659516 0.75 ALK (0.32) —
SCHEMBL4852142 0.74 CYP3A4 (0.42) CYP3A4CALCRL
SCHEMBL5659279 0.74 CYP3A4 (0.42) CYP3A4CALCRL
SCHEMBL5657714 0.74 CYP3A4 (0.42) CYP3A4CALCRL
SCHEMBL4855841 0.74 CALCRL (0.46) 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 8 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-20040204397-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-10-14 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20070148093-A1 Non-terminal method of identifying anti-migraine compounds VDAC1, HTR3B, FAAH CYP3A4 3940/4885CALCRL 430/4885RAB9A 2996/4885
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL CYP3A4 3634/4885CALCRL 3/4885RAB9A 2291/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR CYP3A4 3269/4885CALCRL 1/4885RAB9A 2461/4885

“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.