SCHEMBL5088914

SCHEMBL5088914

Nc1c(Br)cc(C(=O)[C@@H]2C[C@H]2C(=O)N2CCC(n3cc(-c4ccc(Cl)c(Cl)c4)[nH]c3=O)CC2)cc1Br

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
CALCRL Q16602 7/20 0.34
RAMP1 O60894 2/20 0.33
TNKS O95271 1/20 0.33
KMO O15229 2/20 0.33
CCR3 P51677 2/20 0.32
HRH1 P35367 1/20 0.32
CTSS P25774 1/20 0.31

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
SCHEMBL5088904 1.00 DRD2 (0.36) DRD2DRD4DRD3CALCRLRAMP1
SCHEMBL5088963 0.89 DRD2 (0.39) DRD2DRD4DRD3CALCRLRAMP1
SCHEMBL5088970 0.89 DRD2 (0.39) DRD2DRD4DRD3CALCRLRAMP1
SCHEMBL5091185 0.88 DRD2 (0.46) DRD2DRD4DRD3CALCRLRAMP1
SCHEMBL5091183 0.88 DRD2 (0.46) DRD2DRD4DRD3CALCRLRAMP1
SCHEMBL5091123 0.87 CALCRL (0.38) DRD2DRD4DRD3CALCRLRAMP1
SCHEMBL5091122 0.87 CALCRL (0.38) DRD2DRD4DRD3CALCRLRAMP1
SCHEMBL5091154 0.85 CALCRL (0.43) DRD2DRD4DRD3CALCRLRAMP1
SCHEMBL5091156 0.85 CALCRL (0.43) DRD2DRD4DRD3CALCRLRAMP1
SCHEMBL5098336 0.84 HSD11B1 (0.38) DRD2DRD4DRD3CALCRLRAMP1

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
US-7407963-B2 Cyclopropane CGRP antagonists, medicaments containing these compounds, and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-08-05 US claimed
EP-1228059-B1 NOVEL CYCLOPROPANES AS CGRP ANTAGONISTS, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA (DE) 2005-08-03 EP claimed
US-7407963-B2 Cyclopropane CGRP antagonists, medicaments containing these compounds, and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-08-05 US disclosed
EP-1228059-B1 NOVEL CYCLOPROPANES AS CGRP ANTAGONISTS, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHOD FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA (DE) 2005-08-03 EP disclosed
US-20030139417-A1 Cyclopropane CGRP antagonists, medicaments containing these compounds, and method for the production thereof BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-07-24 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-20030139417-A1 Cyclopropane CGRP antagonists, medicaments containing these compounds, and method for the production thereof CALCA, CALCRL, CALCB DRD2 640/4885DRD4 1077/4885DRD3 600/4885

“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.