SCHEMBL4158518

SCHEMBL4158518

CC(C)(C)c1ccc(C2NCCCN3CCC[C@@H]23)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TACR1 P25103 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HSD11B1 P28845 2/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
NPY4R P50391 1/20 0.33
NPY5R Q15761 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL4167500 0.77 SIGMAR1 (0.38) MEN1KMT2AHSD11B1HRH3SIGMAR1
SCHEMBL6727267 0.73 SLC18A3 (0.45) KMT2AHPGDSIGMAR1
SCHEMBL25973047 0.69 SCN10A (0.51) MEN1KMT2ASCN10A
SCHEMBL5512275 0.69 SCN10A (0.51) MEN1KMT2ASCN10A
SCHEMBL28477744 0.69 SMN1; SMN2 (0.51) SIGMAR1
SCHEMBL12017185 0.68 MEN1 (0.47) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL22426569 0.67 CHRNB2 (0.41) SLC6A2SLC6A4SLC6A3HSD11B1LMNA
SCHEMBL10326278 0.66 HPGD (0.45) MEN1KMT2ATACR1HSD11B1HPGD
SCHEMBL10326277 0.66 HPGD (0.45) MEN1KMT2ATACR1HSD11B1HPGD
SCHEMBL9368245 0.66 HTR3A (0.59)

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 MEN1 799/4885KMT2A 2878/4885TACR1 540/4885

“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.