Sugi Predict

Sugi Predict / Compounds / SCHEMBL4861348

SCHEMBL4861348

SCHEMBL4861348

NC(=O)c1c(Cl)c(C[CH]C(=O)N2CCC(N3CCCCC3)CC2)cc2oc(=O)[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 7/20 0.39
▸ CYP3A4 P08684 7/20 0.39
▸ LRRK2 Q5S007 1/20 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
▸ L3MBTL3 Q96JM7 5/20 0.34
▸ L3MBTL1 Q9Y468 4/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MBTD1 Q05BQ5 3/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ ENPP2 Q13822 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
SCHEMBL4860518 0.94 CALCRL (0.39) CALCRLCYP3A4LRRK2CDYL2CDYL
SCHEMBL4855630 0.90 CALCRL (0.39) CALCRLCYP3A4CDYL2CDYLCBX7
SCHEMBL4860278 0.89 CALCRL (0.39) CALCRLCYP3A4CDYL2CDYLCBX7
SCHEMBL4593019 0.89 CALCRL (0.39) CALCRLCYP3A4LRRK2CDYL2CDYL
SCHEMBL4858969 0.82 CALCRL (0.40) CALCRLCYP3A4CDYL2CDYLCBX7
SCHEMBL6135581 0.80 CALCRL (0.39) CALCRLCYP3A4CDYL2CDYLCBX7
SCHEMBL6798879 0.79 LRRK2 (0.39) CYP3A4LRRK2L3MBTL3L3MBTL1CYP2D6
SCHEMBL5394689 0.78 CALCRL (0.41) CALCRLCYP3A4CDYL2CDYLCBX7
SCHEMBL3598608 0.75 PARP1 (0.35) CALCRLCYP3A4
SCHEMBL6808411 0.74 PDE3B (0.38) 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
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-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 CALCRL 430/4885CYP3A4 3940/4885LRRK2 2610/4885
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL CALCRL 3/4885CYP3A4 3634/4885LRRK2 1031/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR CALCRL 1/4885CYP3A4 3269/4885LRRK2 904/4885

“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.