SCHEMBL4167500

SCHEMBL4167500

CC(C)(C)c1ccc(CC2NCCCN3CCC[C@@H]23)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CCR3 P51677 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
HTR1D P28221 2/20 0.35
HTR1B P28222 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
HSD11B1 P28845 2/20 0.34
EBP Q15125 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
SCHEMBL4158518 0.77 MEN1 (0.39) SIGMAR1MEN1KMT2AHRH3HSD11B1
SCHEMBL10223516 0.73 POLB (0.56) HTR1DHTR1BADRA2AADRA2BADRA2C
SCHEMBL27666291 0.72 POLB (0.63) HRH3HTR1DHTR1BADRA2AADRA2B
SCHEMBL3959433 0.69 ADRA2C (0.44) SIGMAR1HTR1DHTR1BADRA2AADRA2B
SCHEMBL4247865 0.66 GBA1 (0.59) HTR1DHTR1BADRA2AADRA2BADRA2C
SCHEMBL20314562 0.66 CARM1 (0.40) SIGMAR1MEN1KMT2AHRH3
SCHEMBL20314569 0.66 SIGMAR1 (0.40) SIGMAR1CCR3HRH3HSD11B1
SCHEMBL10694540 0.66 HRH1 (0.41) SIGMAR1MEN1KMT2AHTR1DHTR1B
Hydrochloric Acid SCHEMBL7400329 0.65 GBA1 (0.58) HTR1DHTR1BADRA2AADRA2BADRA2C
SCHEMBL13165310 0.65 SIGMAR1 (0.48) SIGMAR1CCR3HRH3

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 SIGMAR1 1177/4885MEN1 799/4885KMT2A 2878/4885

“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.