SCHEMBL3950797

SCHEMBL3950797

CC(C)(C)c1ccc(C2[C@@H]3CCCN3CCCN2C(=O)Nc2ccc(F)cc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MOGAT2 Q3SYC2 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
CCR1 P32246 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
EEF2K O00418 1/20 0.39
OPRM1 P35372 1/20 0.38
MAPT P10636 1/20 0.38
USP30 Q70CQ3 1/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL3953224 0.84 CCR1 (0.45) MOGAT2GAASMN1; SMN2KDM4ECCR1
SCHEMBL3960245 0.83 CNR2 (0.42) SMN1; SMN2CCR1POLBMAPTMEN1
SCHEMBL4152379 0.78 CNR2 (0.53) SMN1; SMN2CCR1NPC1RAB9A
SCHEMBL4055756 0.77 MAPT (0.45) MOGAT2GAASMN1; SMN2KDM4ETAS1R3
SCHEMBL3955850 0.76 KDM4E (0.41) MOGAT2GAAKDM4ETAS1R3TAS1R1
SCHEMBL3949101 0.75 KDM4E (0.42) MOGAT2GAAKDM4ETAS1R3TAS1R1
SCHEMBL3954029 0.75 KDM4E (0.42) MOGAT2GAAKDM4ETAS1R3TAS1R1
SCHEMBL4048954 0.72 MAPT (0.51) MOGAT2GAASMN1; SMN2TAS1R3TAS1R1
SCHEMBL3949067 0.72 TRPM8 (0.59)
SCHEMBL30009081 0.71 ALDH1A1 (0.53) SMN1; SMN2TAS1R3TAS1R1TAS1R2TP53

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 MOGAT2 911/4885GAA 3799/4885SMN1; SMN2 1009/4885

“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.