SCHEMBL2123153

SCHEMBL2123153

Cc1c(C[C@@H]2CCCCN2)nc2ccccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
PIM1 P11309 2/20 0.46
PIM2 Q9P1W9 2/20 0.46
IRAK4 Q9NWZ3 1/20 0.42
KDM4E B2RXH2 4/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LTA4H P09960 3/20 0.38
GAA P10253 1/20 0.38
METTL3 Q86U44 1/20 0.38
ADORA1 P30542 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL2124348 0.85 POLB (0.47) POLBPIM1PIM2IRAK4CYP1A2
SCHEMBL2124369 0.85 POLB (0.47) POLBPIM1PIM2IRAK4KDM4E
SCHEMBL2514924 0.81 POLB (0.43) POLBPIM1PIM2KDM4ECYP1A2
SCHEMBL2121371 0.80 POLB (0.41) POLBPIM1PIM2CYP1A2CYP3A4
SCHEMBL7796172 0.79 ALDH1A1 (0.42) POLBPIM1PIM2KDM4EMAPT
SCHEMBL7856603 0.79 POLB (0.43) POLBPIM1PIM2CYP1A2CYP3A4
SCHEMBL86244 0.74 CHRNB2 (0.39) POLBPIM1PIM2IRAK4CYP1A2
SCHEMBL12225862 0.73 POLB (0.38) POLBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2123143 0.72 POLB (0.41) POLBPIM1PIM2KDM4EMAPT
SCHEMBL2122934 0.72 POLB (0.41) POLBPIM1PIM2KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-19 US disclosed
US-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-19 US disclosed
US-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2012-04-19 US disclosed
US-20090022670-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-01-22 US disclosed
US-20090022670-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-01-22 US disclosed
US-20090022670-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-01-22 US disclosed
WO-2009003993-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-01-08 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 (2 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-20120095034-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, GPR119 POLB 4371/4885PIM1 3521/4885PIM2 3203/4885
US-20090022670-A1 NOVEL COMPOUNDS UGT1A1, UGT2B7, ABCB1 POLB 1998/4885PIM1 1476/4885PIM2 758/4885

“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.