SCHEMBL4048435

SCHEMBL4048435

CC(C)(C)c1cccc(C2c3cccn3CCCN2C(=O)Nc2ccc(F)cc2F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
P2RY1 P47900 1/20 0.39
ADRA2C P18825 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
EEF2K O00418 1/20 0.38
HTT P42858 2/20 0.38
OPRM1 P35372 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
THRB P10828 1/20 0.36
RIPK1 Q13546 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 0.91 MAPT (0.45) MAPTALDH1A1SMN1; SMN2NPSR1GAA
SCHEMBL4054042 0.88 MAPT (0.43) MAPTALDH1A1SMN1; SMN2NPSR1GAA
SCHEMBL4050713 0.87 EEF2K (0.47) MAPTALDH1A1SMN1; SMN2NPSR1GAA
SCHEMBL4048954 0.85 MAPT (0.51) MAPTALDH1A1SMN1; SMN2NPSR1GAA
SCHEMBL4054586 0.85 TRPM8 (0.50) MAPTALDH1A1SMN1; SMN2NPSR1GAA
SCHEMBL4050143 0.84 MAPT (0.47) MAPTALDH1A1SMN1; SMN2NPSR1GAA
SCHEMBL4046956 0.84 ADRA2C (0.46) MAPTALDH1A1MEN1KMT2AADRA2C
SCHEMBL4050745 0.83 MAPT (0.46) MAPTALDH1A1SMN1; SMN2NPSR1GAA
SCHEMBL4055029 0.82 EEF2K (0.41) ALDH1A1GAAL3MBTL1TAS1R3TAS1R1
SCHEMBL4053323 0.81 ALDH1A1 (0.53) MAPTALDH1A1SMN1; SMN2NPSR1GAA

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 MAPT 4415/4885ALDH1A1 4812/4885SMN1; 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.