SCHEMBL972402

SCHEMBL972402

COC(C)C1=C(C(=O)c2ccc(C(F)(F)F)cc2)C(C2CCN(C(=O)OCc3ccccc3)CC2)C2=C(CC(C)(C)CC2=O)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.48
NOTCH1 P46531 2/20 0.39
GRIN2B Q13224 3/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
KDM4E B2RXH2 2/20 0.37
TSHR P16473 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ENPP2 Q13822 2/20 0.37
ATXN2 Q99700 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 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
SCHEMBL972797 0.83 NOTCH1 (0.42) CETPNOTCH1TSHRGLAHSD17B10
SCHEMBL972055 0.81 GSK3A (0.39) CETPNOTCH1KDM4ETSHRGLA
SCHEMBL973056 0.75 CETP (0.60) CETPHTTSMN1; SMN2ENPP2ATXN2
SCHEMBL4579478 0.74 CETP (0.44) CETPNOTCH1TSHRMEN1KMT2A
SCHEMBL970677 0.73 GSK3A (0.49) NOTCH1CYP2D6CYP2C9KDM4ETSHR
SCHEMBL970879 0.72 CETP (0.77) CETP
SCHEMBL3089206 0.64 SMN1; SMN2 (0.53) CETPGRIN2BCYP2D6CYP2C9KDM4E
SCHEMBL14992459 0.64 SMN1; SMN2 (0.78) GRIN2BCYP2D6CYP2C9HTTSMN1; SMN2
SCHEMBL8693356 0.63 RORC (0.54) SMN1; SMN2ENPP2ATXN2NPC1RAB9A
SCHEMBL18453686 0.62 SMN1; SMN2 (0.49) CETPGRIN2BCYP2D6CYP2C9HTT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703793-B2 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-22 US disclosed
US-8703793-B2 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-22 US disclosed
US-8703793-B2 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-22 US disclosed
EP-2268644-B1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INT (DE) 2011-08-17 EP disclosed
US-20110021550-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021550-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021550-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
WO-2009109549-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-11 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-20110021550-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation COQ8A, TNNT2, TBXA2R CETP 1170/4885NOTCH1 4727/4885GRIN2B 2136/4885

“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.