SCHEMBL6484900

SCHEMBL6484900

Nc1c(Br)cc(C(=O)CC(NC(=O)C(N)CCCCNC(=O)OCc2ccccc2)C(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 3/20 0.44
DPP7 Q9UHL4 3/20 0.44
DPP4 P27487 2/20 0.41
DPP9 Q86TI2 2/20 0.41
CALCRL Q16602 7/20 0.40
RAMP1 O60894 2/20 0.40
CALCA P06881 1/20 0.40
TGM2 P21980 5/20 0.39
F13A1 P00488 1/20 0.39
TGM1 P22735 1/20 0.39
ACE P12821 2/20 0.38
ANPEP P15144 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL6480687 0.91 CALCRL (0.47) CALCRLRAMP1CALCATGM2F13A1
SCHEMBL6477204 0.88 CALCRL (0.44) CALCRLRAMP1CALCACYP3A4
SCHEMBL6478802 0.82 CALCA (0.51) CALCRLRAMP1CALCACYP3A4
SCHEMBL6478085 0.81 CALCRL (0.44) CALCRLRAMP1CALCACYP3A4
SCHEMBL6491500 0.81 CALCRL (0.44) CALCRLRAMP1CALCACYP3A4
SCHEMBL6478705 0.80 CALCRL (0.46) CALCRLRAMP1CALCACYP3A4
SCHEMBL6485145 0.80 CALCRL (0.44) CALCRLRAMP1CALCACYP3A4
SCHEMBL6485140 0.80 CALCRL (0.44) CALCRLRAMP1CALCACYP3A4
SCHEMBL6477591 0.79 CALCRL (0.59) CALCRLRAMP1CALCACYP3A4
SCHEMBL6486317 0.79 CALCRL (0.47) CALCRLRAMP1CALCACYP3A4

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 6 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-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 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
EP-1252153-A1 SUBSTITUTED PIPERIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2002-10-30 EP disclosed
WO-2001049676-A1 SUBSTITUTED PIPERIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-12 WO 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 DPP8 2845/4885DPP7 1460/4885DPP4 1783/4885

“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.