SCHEMBL9979985

SCHEMBL9979985

O=C(c1cccc([N+](=O)[O-])c1O)N1CCN2CCC[C@@H]2C1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
KMT2A Q03164 2/20 0.47
L3MBTL3 Q96JM7 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TP53BP1 Q12888 1/20 0.43
CNR1 P21554 3/20 0.43
MGLL Q99685 1/20 0.43
HTT P42858 1/20 0.42
SPR P35270 2/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
CNR2 P34972 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
CACNA1H O95180 1/20 0.41

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
SCHEMBL9980019 1.00 MAPT (0.48) MAPTKMT2AL3MBTL3L3MBTL1TP53BP1
SCHEMBL9980042 1.00 MAPT (0.48) MAPTKMT2AL3MBTL3L3MBTL1TP53BP1
SCHEMBL9979958 0.81 L3MBTL3 (0.47) KMT2AL3MBTL3L3MBTL1TP53BP1CNR1
SCHEMBL9980026 0.81 L3MBTL3 (0.47) KMT2AL3MBTL3L3MBTL1TP53BP1CNR1
SCHEMBL9980040 0.81 L3MBTL3 (0.47) KMT2AL3MBTL3L3MBTL1TP53BP1CNR1
SCHEMBL9980059 0.80 SPR (0.44) MAPTKMT2AMGLLHTTSPR
SCHEMBL14894816 0.80 HTT (0.49) MAPTKMT2AL3MBTL3L3MBTL1MGLL
SCHEMBL12260704 0.80 HTT (0.49) MAPTKMT2AL3MBTL3L3MBTL1MGLL
SCHEMBL16163703 0.80 HTT (0.49) MAPTKMT2AL3MBTL3L3MBTL1MGLL
SCHEMBL14894911 0.79 POLB (0.57) MAPTKMT2AL3MBTL1HTTALDH1A1

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 MAPT 4497/4885KMT2A 3271/4885L3MBTL3 4814/4885

“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.