SCHEMBL4055124

SCHEMBL4055124

O=C(Nc1ccc(F)cc1F)N1CCCn2cccc2C1Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.52
RAB9A P51151 3/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.41
GRIN2B Q13224 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.39
FAAH O00519 1/20 0.39
NPC1 O15118 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
SCHEMBL4055029 0.89 EEF2K (0.41) EEF2KPOLBTAS1R3TAS1R1TAS1R2
SCHEMBL4050713 0.85 EEF2K (0.47) EEF2KRAB9APOLBMEN1KMT2A
SCHEMBL4053409 0.83 TAS1R3 (0.44) RAB9AMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4053323 0.79 ALDH1A1 (0.53) EEF2KMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4050745 0.79 MAPT (0.46) EEF2KMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4050143 0.79 MAPT (0.47) EEF2KRAB9APOLBMEN1KMT2A
SCHEMBL4054586 0.77 TRPM8 (0.50) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL4054042 0.77 MAPT (0.43) EEF2KPOLBMEN1KMT2AHTT
SCHEMBL4055756 0.77 MAPT (0.45) EEF2KMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4048435 0.75 MAPT (0.41) EEF2KPOLBMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009032754-A2 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-12 WO disclosed
WO-2009032754-A2 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-12 WO disclosed
US-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-05 US disclosed
US-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-05 US disclosed
US-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-03-05 US 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-20090062253-A1 HETEROCYCLODIAZEPINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 EEF2K 3502/4885RAB9A 719/4885POLB 3792/4885

“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.