SCHEMBL4860876

SCHEMBL4860876

CC1(C(N)=O)CN(C[CH]C(=O)N2CCC(N3CCCCC3)CC2)Cc2cn[nH]c21

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 1/20 0.33
NR1H2 P55055 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
L3MBTL3 Q96JM7 5/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
MBTD1 Q05BQ5 3/20 0.33
CALCRL Q16602 10/20 0.32
CYP3A4 P08684 4/20 0.32

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
SCHEMBL4860878 0.73 DPP8 (0.43) NR1H2DPP8CALCRLCYP3A4
SCHEMBL4593402 0.67 L3MBTL3 (0.35) SMYD2L3MBTL3L3MBTL1MBTD1
SCHEMBL3590858 0.64 CALCA (0.43) SMYD2CALCRL
SCHEMBL4593405 0.63 DPP8 (0.46) DPP8L3MBTL3L3MBTL1MBTD1CALCRL
SCHEMBL4862628 0.63 CALCRL (0.45) CALCRLCYP3A4
SCHEMBL4852142 0.62 CYP3A4 (0.42) CALCRLCYP3A4
SCHEMBL17152284 0.61 L3MBTL3 (0.41) DPP8L3MBTL3L3MBTL1MBTD1CYP3A4
SCHEMBL4855644 0.60 L3MBTL3 (0.42) L3MBTL3L3MBTL1MBTD1
SCHEMBL4853830 0.59 L3MBTL3 (0.41) L3MBTL3L3MBTL1MBTD1
SCHEMBL4861627 0.59 L3MBTL3 (0.36) 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 11 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-20040063735-A1 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 US claimed
EP-1539766-B1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP disclosed
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
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 (4 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 SMYD2 4625/4885NR1H2 393/4885DPP8 3987/4885
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds VDAC1, HTR3B, FAAH SMYD2 653/4885NR1H2 1620/4885DPP8 1290/4885
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL SMYD2 4256/4885NR1H2 318/4885DPP8 3272/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR SMYD2 4625/4885NR1H2 393/4885DPP8 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.