SCHEMBL6797975

SCHEMBL6797975

NC(=O)n1c(=O)[nH]c2c(Cl)cc(C[CH]C(=O)N3CCC(N4CCCCC4)CC3)cc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
LRRK2 Q5S007 1/20 0.38
CCR3 P51677 2/20 0.34
CALCRL Q16602 5/20 0.34
L3MBTL3 Q96JM7 6/20 0.34
L3MBTL1 Q9Y468 5/20 0.34
MBTD1 Q05BQ5 4/20 0.34
PARP1 P09874 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PDE7B Q9NP56 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
SCHEMBL6803718 0.88 KDM4E (0.35) CYP3A4CALCRLL3MBTL3L3MBTL1MBTD1
SCHEMBL6800821 0.83 CALCRL (0.42) CYP3A4CALCRLL3MBTL3L3MBTL1MBTD1
SCHEMBL4593241 0.78 KDM4E (0.37) CALCRLL3MBTL3L3MBTL1MBTD1PARP1
SCHEMBL4857017 0.76 LRRK2 (0.38) CYP3A4CYP2D6CYP2C19LRRK2CALCRL
SCHEMBL6798879 0.74 LRRK2 (0.39) CYP3A4CYP2D6CYP2C19LRRK2L3MBTL3
SCHEMBL4594198 0.73 PDE3B (0.38) L3MBTL3L3MBTL1MBTD1PARP1KDM4E
SCHEMBL4722263 0.73 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C19LRRK2CCR3
SCHEMBL5661064 0.72 CALCRL (0.42) CYP3A4CALCRL
SCHEMBL5658553 0.72 CALCRL (0.42) CYP3A4CALCRL
SCHEMBL4858969 0.72 CALCRL (0.40) CYP3A4CALCRLL3MBTL3L3MBTL1MBTD1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539766-B1 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-12-21 EP 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
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 (2 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 CYP3A4 3269/4885CYP2D6 3191/4885CYP2C19 1029/4885
US-20040204397-A1 Calcitonin gene related peptide receptor antagonists CALCRL, CALCA, CALCR CYP3A4 3269/4885CYP2D6 3191/4885CYP2C19 1029/4885

“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.