SCHEMBL9980046

SCHEMBL9980046

Nc1cccc(C(=O)N2CCN3C(=O)CCC3C2)c1O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.46
MGLL Q99685 7/20 0.40
P2RX7 Q99572 1/20 0.40
MMP2 P08253 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
SCN9A Q15858 1/20 0.36
HTR2A P28223 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
VNN1 O95497 2/20 0.35
HSD11B1 P28845 1/20 0.35
KDM5A P29375 1/20 0.35

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
SCHEMBL9980059 0.82 SPR (0.44) SPRMGLLCA12CA1CA2
SCHEMBL985136 0.80 MEN1 (0.52) SPRMGLLCA12CA1CA2
SCHEMBL984361 0.80 MEN1 (0.52) SPRMGLLCA12CA1CA2
SCHEMBL984360 0.80 MEN1 (0.52) SPRMGLLCA12CA1CA2
SCHEMBL9979958 0.78 L3MBTL3 (0.47) SPRMGLL
SCHEMBL9980040 0.78 L3MBTL3 (0.47) SPRMGLL
SCHEMBL9980026 0.78 L3MBTL3 (0.47) SPRMGLL
SCHEMBL9980082 0.77 SPR (0.41) SPRMGLL
SCHEMBL9980083 0.76 MAPK14 (0.48)
SCHEMBL12087002 0.76 MMP2 (0.46) MGLLMMP2VNN1HSD11B1

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 SPR 3856/4885MGLL 2921/4885P2RX7 135/4885

“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.