SCHEMBL9979958

SCHEMBL9979958

Nc1cccc(C(=O)N2CCN3CCCC3C2)c1O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TP53BP1 Q12888 1/20 0.47
MGLL Q99685 3/20 0.46
CNR1 P21554 7/20 0.46
SPR P35270 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CNR2 P34972 2/20 0.44
KDM4E B2RXH2 2/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
CACNA1H O95180 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL9980026 1.00 L3MBTL3 (0.47) L3MBTL3L3MBTL1TP53BP1MGLLCNR1
SCHEMBL9980040 1.00 L3MBTL3 (0.47) L3MBTL3L3MBTL1TP53BP1MGLLCNR1
SCHEMBL12261992 0.87 KDM4E (0.54) L3MBTL3L3MBTL1TP53BP1ALDH1A1KDM4E
SCHEMBL9979985 0.81 MAPT (0.48) L3MBTL3L3MBTL1TP53BP1MGLLCNR1
SCHEMBL9980042 0.81 MAPT (0.48) L3MBTL3L3MBTL1TP53BP1MGLLCNR1
SCHEMBL9980019 0.81 MAPT (0.48) L3MBTL3L3MBTL1TP53BP1MGLLCNR1
SCHEMBL14100063 0.81 ALOX5AP (0.46) KDM4EHPGDPOLB
SCHEMBL12260821 0.81 ALOX5AP (0.46) KDM4EHPGDPOLB
SCHEMBL12260899 0.80 RECQL (0.52) ALDH1A1MEN1HPGDKMT2A
SCHEMBL13406944 0.79 MMP2 (0.45) ALDH1A1KDM4ETSHRMEN1KMT2A

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 L3MBTL3 4814/4885L3MBTL1 4414/4885TP53BP1 1300/4885

“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.