SCHEMBL9979975

SCHEMBL9979975

COc1c(Nc2c(Nc3cccc(F)c3Cl)c(=O)c2=O)cccc1C(=O)N1CCN2CCOCC2C1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 12/20 0.40
CACNA1H O95180 3/20 0.37
CCR6 P51684 1/20 0.36
CXCR2 P25025 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL14329497 0.89 CXCR2 (0.45) CCR6CXCR2
SCHEMBL9980043 0.88 CXCR2 (0.42) MGLLCACNA1HCXCR2KDM4E
SCHEMBL9980067 0.87 CACNA1H (0.46) MGLLCACNA1H
SCHEMBL9980050 0.81 CXCR2 (0.60) CXCR2
SCHEMBL9980049 0.81 CXCR2 (0.60) CXCR2
SCHEMBL9979976 0.78 P2RX7 (0.44) MGLLCACNA1HCXCR2
SCHEMBL9980037 0.77 CXCR2 (0.51) CXCR2
SCHEMBL9980001 0.76 CXCR2 (0.40) MGLLCXCR2
SCHEMBL9980063 0.76 CXCR2 (0.40) MGLLCXCR2
SCHEMBL9980031 0.76 CACNA1H (0.51) MGLLCACNA1HCXCR2

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
EP-2651891-B1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2016-07-13 EP disclosed
US-8648118-B2 Bicyclic ring system substituted amide functionalised phenols as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-8648118-B2 Bicyclic ring system substituted amide functionalised phenols as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
US-20120329773-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-27 US disclosed
US-20120329773-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-27 US disclosed
WO-2012080456-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 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-20120329773-A1 BICYCLIC RING SYSTEM SUBSTITUTED AMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS CXCR2, CCR2, CCR1 MGLL 2921/4885CACNA1H 4586/4885CCR6 54/4885

“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.