SCHEMBL4049999

SCHEMBL4049999

CC(C)(C)c1ccc(C2c3cccn3CCCN2C(=O)CN2CCOCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 2/20 0.38
ADRA2C P18825 1/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 4/20 0.37
GAA P10253 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
CNR2 P34972 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
SCHEMBL4048036 0.81 MAPT (0.43) L3MBTL1ADRA2CKMT2AMEN1ALDH1A1
SCHEMBL4056429 0.78 MAPT (0.47) L3MBTL1ADRA2CKMT2AMEN1ALDH1A1
SCHEMBL4055756 0.70 MAPT (0.45) L3MBTL1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL4053140 0.69 MAPT (0.38) L3MBTL1ADRA2CKMT2AMEN1ALDH1A1
SCHEMBL4158829 0.65 SLC6A2 (0.40) ADRA2CKMT2AMEN1ALDH1A1KDM4E
SCHEMBL4783091 0.64 ALDH1A1 (0.41) L3MBTL1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL4154924 0.64 LMNA (0.45) TSHRMAPTSMN1; SMN2HTTCNR2
SCHEMBL10069891 0.64 RAB9A (0.53) TSHRKMT2AMEN1ALDH1A1MAPT
SCHEMBL6011043 0.64 RAB9A (0.53) TSHRKMT2AMEN1ALDH1A1MAPT
SCHEMBL4048954 0.64 MAPT (0.51) L3MBTL1KMT2AMEN1ALDH1A1MAPT

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 L3MBTL1 3376/4885TSHR 1945/4885ADRA2C 164/4885

“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.