SCHEMBL5092841

SCHEMBL5092841

COc1ccccc1-c1cn(C2CCN(C(=O)C3CC3C(=O)c3cc(Br)c(N)c(Br)c3)CC2)c(=O)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.37
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
CALCRL Q16602 7/20 0.34
UCHL1 P09936 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
RAMP1 O60894 1/20 0.33
MPO P05164 1/20 0.32
TNKS O95271 1/20 0.32
CCR5 P51681 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL5092847 1.00 HSD11B1 (0.37) HSD11B1ALDH1A1PKMCALCRLUCHL1
SCHEMBL5091185 0.87 DRD2 (0.46) CALCRLDRD2DRD4DRD3RAMP1
SCHEMBL5091183 0.87 DRD2 (0.46) CALCRLDRD2DRD4DRD3RAMP1
SCHEMBL5093969 0.86 CALCRL (0.36) HSD11B1CALCRLDRD2DRD4DRD3
SCHEMBL5093973 0.86 CALCRL (0.36) HSD11B1CALCRLDRD2DRD4DRD3
SCHEMBL5091154 0.85 CALCRL (0.43) HSD11B1CALCRLDRD2DRD4DRD3
SCHEMBL5091156 0.85 CALCRL (0.43) HSD11B1CALCRLDRD2DRD4DRD3
SCHEMBL5371401 0.83 TNKS (0.41) HSD11B1ALDH1A1PKMCALCRLDRD2
SCHEMBL5091123 0.82 CALCRL (0.38) CALCRLDRD2DRD4DRD3RAMP1
SCHEMBL5091122 0.82 CALCRL (0.38) CALCRLDRD2DRD4DRD3RAMP1

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 HSD11B1 842/4885ALDH1A1 1301/4885PKM 3832/4885

“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.