SCHEMBL6486199

SCHEMBL6486199

Nc1c(Br)cc(C(=O)C[C@@H](NS(=O)(=O)CCN2CCC(N3CCCCC3)CC2)C(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.48
CYP3A4 P08684 4/20 0.46
RAMP1 O60894 1/20 0.44

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
SCHEMBL6479830 0.95 CALCRL (0.50) CALCRLCYP3A4RAMP1
SCHEMBL6479835 0.95 CALCRL (0.50) CALCRLCYP3A4RAMP1
SCHEMBL6489325 0.90 CALCRL (0.51) CALCRLCYP3A4RAMP1
SCHEMBL6490055 0.89 CALCRL (0.42) CALCRLCYP3A4RAMP1
SCHEMBL6490050 0.89 CALCRL (0.42) CALCRLCYP3A4RAMP1
SCHEMBL6478163 0.89 CALCRL (0.45) CALCRLCYP3A4RAMP1
SCHEMBL6478165 0.89 CALCRL (0.45) CALCRLCYP3A4RAMP1
SCHEMBL6487803 0.88 CALCRL (0.52) CALCRLCYP3A4
SCHEMBL6488620 0.87 CALCRL (0.58) CALCRLCYP3A4
SCHEMBL6478784 0.84 CALCRL (0.51) CALCRLCYP3A4RAMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6949541-B2 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-09-27 US claimed
US-6949541-B2 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-09-27 US disclosed
US-20030212057-A1 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-11-13 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 (1 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-20030212057-A1 Substituted piperidines, medicaments containing these compounds, and methods for the production thereof CALCA, CALCRL, P2RY1 CALCRL 2/4885CYP3A4 2008/4885RAMP1 51/4885

“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.