SCHEMBL3593154

SCHEMBL3593154

NC(Cc1ccc2[nH]nnc2c1)C(=O)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 1/20 0.46
CALCRL Q16602 13/20 0.45
CYP3A4 P08684 11/20 0.45
CHRM1 P11229 2/20 0.43
ALOX15 P16050 1/20 0.43
ROCK2 O75116 2/20 0.42
L3MBTL3 Q96JM7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5656773 0.91 CYP3A4 (0.41) DPP8CALCRLCYP3A4CHRM1ROCK2
SCHEMBL5661227 0.91 CYP3A4 (0.41) DPP8CALCRLCYP3A4CHRM1ROCK2
SCHEMBL5659625 0.89 CYP3A4 (0.41) DPP8CALCRLCYP3A4CHRM1ROCK2
SCHEMBL5656825 0.88 CYP3A4 (0.42) CALCRLCYP3A4CHRM1ROCK2
SCHEMBL5661010 0.83 ROCK2 (0.44) CYP3A4ROCK2
SCHEMBL5658362 0.83 ROCK2 (0.44) CYP3A4ROCK2
SCHEMBL4862683 0.83 CALCRL (0.51) DPP8CALCRLCYP3A4CHRM1ALOX15
SCHEMBL3602707 0.82 CALCRL (0.60) CALCRLCYP3A4ROCK2
SCHEMBL6808413 0.81 CALCRL (0.46) DPP8CALCRLCYP3A4CHRM1ALOX15
SCHEMBL4587732 0.80 CALCRL (0.59) DPP8CALCRLCYP3A4CHRM1ALOX15

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 14 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-7220862-B2 Calcitonin gene related peptide receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-22 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-7754732-B2 Spirocyclic anti-migraine compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-13 US 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-20070149502-A1 SPIROCYCLIC 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 (5 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 DPP8 3987/4885CALCRL 1/4885CYP3A4 3269/4885
US-20070148093-A1 Non-terminal method of identifying anti-migraine compounds VDAC1, HTR3B, FAAH DPP8 1290/4885CALCRL 430/4885CYP3A4 3940/4885
US-20070149502-A1 SPIROCYCLIC ANTI-MIGRAINE COMPOUNDS CALCRL, CALCR, CALCA DPP8 4025/4885CALCRL 1/4885CYP3A4 3426/4885
US-20070232600-A1 ANTI-MIGRAINE TREATMENTS BDKRB2, PTGIR, CALCRL DPP8 3272/4885CALCRL 3/4885CYP3A4 3634/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR DPP8 3987/4885CALCRL 1/4885CYP3A4 3269/4885

“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.