SCHEMBL3949083

SCHEMBL3949083

O=C(O)C1CCn2cccc2C1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
EDNRA P25101 1/20 0.38
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
RIPK1 Q13546 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
FFAR4 Q5NUL3 4/20 0.34

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
SCHEMBL3952156 0.79 RAB9A (0.47) L3MBTL1MAPTLMNATP53HTT
SCHEMBL4158829 0.78 SLC6A2 (0.40) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL3952189 0.77 BRD4 (0.45) MAPT
SCHEMBL3953034 0.76 MAPT (0.42) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3953346 0.75 HTT (0.51) ALDH1A1L3MBTL1MEN1KMT2ATP53
SCHEMBL3953364 0.75 LIPE (0.51) MAPTTP53
SCHEMBL7875841 0.74 CDC42 (0.46) KDM4EALDH1A1L3MBTL1MAPTGAA
SCHEMBL17361251 0.74 CDC42 (0.46) KDM4EALDH1A1L3MBTL1MAPTGAA
SCHEMBL13914799 0.73 DEGS1 (0.51) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL13914797 0.73 DEGS1 (0.51) KDM4EALDH1A1MAPTGAAMEN1

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 KDM4E 2542/4885ALDH1A1 4812/4885L3MBTL1 3376/4885

“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.