SCHEMBL4055029

SCHEMBL4055029

CC(C)(C)c1ccc(CC2c3cccn3CCCN2C(=O)Nc2ccc(F)cc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 1/20 0.41
CCR1 P32246 1/20 0.40
GAA P10253 1/20 0.39
MOGAT2 Q3SYC2 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
MGAT2 Q10469 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
OPRM1 P35372 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
SCHEMBL4055124 0.89 EEF2K (0.52) EEF2KGAATAS1R3TAS1R1TAS1R2
SCHEMBL4055756 0.87 MAPT (0.45) EEF2KGAAMOGAT2KDM4ETAS1R3
SCHEMBL4048628 0.84 CCR1 (0.44) CCR1GAAKDM4ETAS1R3TAS1R1
SCHEMBL4048435 0.82 MAPT (0.41) EEF2KGAAKDM4ETAS1R3TAS1R1
SCHEMBL4048954 0.81 MAPT (0.51) GAAMOGAT2TAS1R3TAS1R1TAS1R2
SCHEMBL4054586 0.79 TRPM8 (0.50) GAAKDM4EALDH1A1L3MBTL1
SCHEMBL3953224 0.78 CCR1 (0.45) EEF2KCCR1GAAMOGAT2KDM4E
SCHEMBL4050713 0.77 EEF2K (0.47) EEF2KGAAKDM4ETAS1R3TAS1R1
SCHEMBL4050143 0.77 MAPT (0.47) EEF2KGAATAS1R3TAS1R1TAS1R2
SCHEMBL4048346 0.76 TP53 (0.39) EEF2KKDM4ETAS1R3TAS1R1TAS1R2

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 3502/4885CCR1 596/4885GAA 3799/4885

“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.