SCHEMBL4585580

SCHEMBL4585580

NC(Cc1cc2oc(=O)[nH]c2cc1Cl)C(=O)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 11/20 0.59
CYP3A4 P08684 9/20 0.59
DPP8 Q6V1X1 1/20 0.41
SMYD3 Q9H7B4 1/20 0.40
LRRK2 Q5S007 1/20 0.39
ENPP2 Q13822 1/20 0.39
KMO O15229 1/20 0.38
CHRM1 P11229 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CBX7 O95931 1/20 0.37
CDYL2 Q8N8U2 1/20 0.37
CDYL Q9Y232 1/20 0.37
CDY1; CDY1B Q9Y6F8 1/20 0.37

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
SCHEMBL4855634 0.90 CALCRL (0.59) CALCRLCYP3A4DPP8SMYD3CHRM1
SCHEMBL4585876 0.84 CALCRL (0.59) CALCRLCYP3A4DPP8SMYD3ENPP2
SCHEMBL4593828 0.82 CALCRL (0.59) CALCRLCYP3A4DPP8LRRK2CHRM1
SCHEMBL4586282 0.78 CALCRL (0.48) CALCRLCYP3A4DPP8SMYD3CHRM1
SCHEMBL4586452 0.77 CALCRL (0.59) CALCRLCYP3A4DPP8SMYD3CHRM1
SCHEMBL4585950 0.77 CALCRL (0.48) CALCRLCYP3A4
SCHEMBL4593020 0.77 CALCRL (0.59) CALCRLCYP3A4DPP8SMYD3CHRM1
SCHEMBL3598612 0.76 CYP3A4 (0.51) CALCRLCYP3A4SMYD3ENPP2CHRM1
SCHEMBL13081150 0.75 CALCRL (1.00) CALCRLCYP3A4
SCHEMBL30285499 0.75 CALCRL (1.00) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689493-A4 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-04-23 EP claimed
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
EP-1689493-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS Bristol-Myers Squibb Pharma Company (US) 2006-08-16 EP claimed
WO-2005065779-A1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 WO 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 3940/4885DPP8 1290/4885
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL CALCRL 3/4885CYP3A4 3634/4885DPP8 3272/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR CALCRL 1/4885CYP3A4 3269/4885DPP8 3987/4885

“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.