SCHEMBL4585197

SCHEMBL4585197

Cn1c(=O)[nH]c2c(Cl)cc(CC(N)C(=O)N3CCC(N4CCCCC4)CC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 11/20 0.41
CYP3A4 P08684 6/20 0.41
DPP8 Q6V1X1 1/20 0.39
CHRM1 P11229 1/20 0.39
ALOX15 P16050 1/20 0.39
CALCA P06881 5/20 0.39
LRRK2 Q5S007 1/20 0.38

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
SCHEMBL4585974 0.90 CALCRL (0.44) CALCRLCYP3A4CALCA
SCHEMBL4587306 0.89 CYP3A4 (0.41) CALCRLCYP3A4DPP8CHRM1ALOX15
SCHEMBL4586616 0.83 CALCRL (0.51) CALCRLCYP3A4DPP8CHRM1ALOX15
SCHEMBL4586202 0.82 CALCRL (0.43) CALCRLCYP3A4DPP8CHRM1ALOX15
SCHEMBL4593828 0.81 CALCRL (0.59) CALCRLCYP3A4DPP8CHRM1ALOX15
SCHEMBL4857032 0.78 CYP3A4 (0.58) CALCRLCYP3A4CALCA
SCHEMBL30285374 0.78 CYP3A4 (0.58) CALCRLCYP3A4CALCA
SCHEMBL3598267 0.76 CALCRL (0.76) CALCRLCYP3A4
SCHEMBL4587440 0.76 CALCRL (0.45) CALCRLCYP3A4CALCA
SCHEMBL4722265 0.75 DPP8 (0.47) CYP3A4DPP8CHRM1ALOX15CALCA

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 8 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
EP-1689493-A4 CALCITONIN GENE RELATED PEPTIDE RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-04-23 EP 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-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 CALCRL 1/4885CYP3A4 3269/4885DPP8 3987/4885
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.