SCHEMBL4326449

SCHEMBL4326449

FC1CNCCN(c2nc3ccccc3o2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.46
HTR3A P46098 1/20 0.46
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTT P42858 2/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.41
CRBN Q96SW2 1/20 0.41
SORD Q00796 1/20 0.41
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR6 P50406 3/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
PDE10A Q9Y233 1/20 0.40
NAAA Q02083 1/20 0.39

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
SCHEMBL195554 0.82 HTR6 (0.53) CHRNA7HTR3ALMNASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL4058879 0.81 HTR6 (0.52) CHRNA7HTR3ALMNASMN1; SMN2HTT
SCHEMBL31473673 0.78 LMNA (0.57) CHRNA7HTR3ALMNASMN1; SMN2HTT
SCHEMBL221216 0.77 ELANE (0.51) CHRNA7HTR3ALMNASMN1; SMN2HTT
SCHEMBL6923786 0.75 HCRTR1 (0.52) CHRNA7HTR3ALMNASMN1; SMN2HTT
SCHEMBL4779972 0.74 CHRNA7 (0.46) CHRNA7HTR3ALMNASMN1; SMN2HTT
SCHEMBL4778322 0.74 CHRNA7 (0.49) CHRNA7HTR3ALMNASMN1; SMN2HTT
SCHEMBL8731851 0.74 HTR3A (0.54) CHRNA7HTR3ANAAA
SCHEMBL22657643 0.71 CHRNA7 (0.51) CHRNA7HTR3ALMNASMN1; SMN2HTT
SCHEMBL7926549 0.71 LMNA (0.54) CHRNA7HTR3ALMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001485-B1 DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2015-09-09 EP disclosed
EP-2001485-B1 DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2015-09-09 EP disclosed
US-20090124603-A1 Diazepan Orexin Receptor Antagonists MERCK SHARP & DOHME LLC 2009-05-14 US disclosed
US-20090124603-A1 Diazepan Orexin Receptor Antagonists MERCK SHARP & DOHME LLC 2009-05-14 US disclosed
US-20090124603-A1 Diazepan Orexin Receptor Antagonists MERCK SHARP & DOHME LLC 2009-05-14 US disclosed
WO-2007126935-A2 DIAZEPAN OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-11-08 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 (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-20090124603-A1 Diazepan Orexin Receptor Antagonists HCRTR2, HCRTR1, OXTR CHRNA7 129/4885HTR3A 60/4885LMNA 3184/4885

“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.