SCHEMBL9979976

SCHEMBL9979976

COc1c(Nc2c(Nc3cccc(F)c3Cl)c(=O)c2=O)cccc1C(=O)N1CC(=O)N2CCCC2C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.44
PARP1 P09874 2/20 0.39
PARP2 Q9UGN5 2/20 0.39
CXCR2 P25025 4/20 0.37
PDE2A O00408 1/20 0.36
CACNA1H O95180 3/20 0.36
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
TYK2 P29597 1/20 0.35
MGLL Q99685 4/20 0.35
NOTUM Q6P988 1/20 0.35
CXCR1 P25024 1/20 0.34

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
SCHEMBL9979967 0.89 P2RX7 (0.45) P2RX7PARP1PARP2CXCR2PDE2A
SCHEMBL9980062 0.88 P2RX7 (0.47) P2RX7PARP1PARP2CXCR2CXCR1
SCHEMBL9980067 0.85 CACNA1H (0.46) CACNA1HMGLL
SCHEMBL9980044 0.81 CXCR2 (0.57) CXCR2CXCR1
SCHEMBL9979975 0.78 MGLL (0.40) CXCR2CACNA1HMGLL
SCHEMBL9980030 0.78 CXCR2 (0.51) P2RX7PARP1PARP2CXCR2
SCHEMBL9979999 0.76 SMN1; SMN2 (0.40) P2RX7PARP1PARP2GAARAB9A
SCHEMBL9980031 0.75 CACNA1H (0.51) CXCR2CACNA1HMGLLCXCR1
SCHEMBL9979968 0.74 CLCN2 (0.47) CXCR2
SCHEMBL9980053 0.74 CD274 (0.41) CXCR2TYK2

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 P2RX7 135/4885PARP1 1759/4885PARP2 1950/4885

“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.