SCHEMBL2124348

SCHEMBL2124348

Ic1c(C[C@@H]2CCCCN2)nc2ccccn12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
PIM1 P11309 2/20 0.43
PIM2 Q9P1W9 2/20 0.43
IRAK4 Q9NWZ3 1/20 0.42
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
LTA4H P09960 7/20 0.38
METTL3 Q86U44 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
ADRA1B P35368 1/20 0.36
KCNH2 Q12809 1/20 0.36
POLR1A O95602 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
SCHEMBL2123153 0.85 POLB (0.47) POLBPIM1PIM2IRAK4CYP1A2
SCHEMBL2124369 0.85 POLB (0.47) POLBPIM1PIM2IRAK4CYP1A2
SCHEMBL1255754 0.72 POLB (0.49) POLBPIM1PIM2IRAK4CYP1A2
SCHEMBL2532937 0.72 KDM4E (0.50) POLBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25424532 0.71 KCNK3 (0.52)
SCHEMBL4157352 0.71 MEN1 (0.40) POLB
SCHEMBL25424169 0.71 KDM4E (0.57) POLB
SCHEMBL15557994 0.70 KDM4E (0.48) POLB
SCHEMBL2514924 0.69 POLB (0.43) POLBPIM1PIM2CYP1A2CYP3A4
SCHEMBL7856603 0.69 POLB (0.43) POLBPIM1PIM2CYP1A2CYP3A4

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.