SCHEMBL2124369

SCHEMBL2124369

Clc1c(C[C@@H]2CCCCN2)nc2ccccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

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
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL2123153 0.85 POLB (0.47) POLBPIM1PIM2IRAK4NPC1
SCHEMBL2120480 0.81 LTA4H (0.41) POLBPIM1PIM2LTA4HHRH3
SCHEMBL2123143 0.80 POLB (0.41) POLBPIM1PIM2RAB9AALDH1A1
SCHEMBL2616550 0.79 LTA4H (0.38) POLBSMN1; SMN2CYP1A2CYP2D6CYP2C19
SCHEMBL2120243 0.79 LTA4H (0.41) POLBLTA4H
SCHEMBL312388 0.76 POLB (0.39) POLBPIM1PIM2CYP1A2CYP3A4
SCHEMBL25424169 0.75 KDM4E (0.57) POLBNPC1RAB9AHTTSMN1; SMN2
SCHEMBL1255754 0.72 POLB (0.49) POLBPIM1PIM2IRAK4CYP1A2
SCHEMBL2532937 0.72 KDM4E (0.50) POLBNPC1RAB9AALDH1A1TP53

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.