SCHEMBL2123145

SCHEMBL2123145

COCc1cc(F)cnc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
FYN P06241 5/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
ADRA1A P35348 1/20 0.35
ALK Q9UM73 1/20 0.34
ATR Q13535 1/20 0.33
MEN1 O00255 1/20 0.33
SLC22A1 O15245 1/20 0.33
DHFR P00374 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL14832023 0.81 LMNA (0.50) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL20465809 0.81 LMNA (0.55) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL21914764 0.81 LMNA (0.38) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL2125142 0.79 NOS3 (0.42) NOS3NOS1NOS2DHFR
SCHEMBL23534279 0.78 LMNA (0.47) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL17490835 0.78 KMT2A (0.48) LMNAKDM4EALDH1A1GAAHPGD
SCHEMBL25503495 0.78 CYP2C9 (0.43) LMNAALDH1A1ADRA1AMEN1CYP3A4
SCHEMBL19859254 0.78 LMNA (0.36) LMNAALDH1A1ADRA1AMEN1CYP3A4
SCHEMBL2122317 0.78 ADRA1A (0.37) LMNAALDH1A1ADRA1AMEN1CYP3A4
SCHEMBL28564294 0.77 MAP4K4 (0.33) ALDH1A1ALK

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 9 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
EP-2176258-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Glaxo Group Limited (GB) 2010-04-21 EP 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
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 LMNA 3178/4885KDM4E 769/4885ALDH1A1 761/4885
US-20090022670-A1 NOVEL COMPOUNDS UGT1A1, UGT2B7, ABCB1 LMNA 3362/4885KDM4E 3080/4885ALDH1A1 125/4885

“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.