SCHEMBL3949101

SCHEMBL3949101

CC(C)(C)c1ccc(C2c3cncn3CCCN2C(=O)Nc2ccc(F)cc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.39
MOGAT2 Q3SYC2 1/20 0.39
TRPM8 Q7Z2W7 4/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
OPRM1 P35372 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
AR P10275 1/20 0.36

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
SCHEMBL4055756 0.86 MAPT (0.45) KDM4EGAAMOGAT2TRPM8TAS1R3
SCHEMBL3955850 0.85 KDM4E (0.41) KDM4EGAAMOGAT2TRPM8TAS1R3
SCHEMBL3953865 0.84 CNR2 (0.39) KDM4ETAS1R3TAS1R1TAS1R2ALDH1A1
SCHEMBL3954029 0.82 KDM4E (0.42) KDM4EGAAMOGAT2TRPM8TAS1R3
SCHEMBL4048954 0.80 MAPT (0.51) GAAMOGAT2TRPM8TAS1R3TAS1R1
SCHEMBL4054586 0.78 TRPM8 (0.50) KDM4EGAATRPM8ALDH1A1
SCHEMBL4048435 0.77 MAPT (0.41) KDM4EGAATAS1R3TAS1R1TAS1R2
SCHEMBL3949067 0.76 TRPM8 (0.59) TRPM8ALDH1A1PKM
SCHEMBL3950797 0.75 MOGAT2 (0.43) KDM4EGAAMOGAT2TAS1R3TAS1R1
SCHEMBL4050143 0.75 MAPT (0.47) GAATAS1R3TAS1R1TAS1R2OPRM1

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 4 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
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 KDM4E 2542/4885GAA 3799/4885MOGAT2 911/4885

“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.