SCHEMBL3955065

SCHEMBL3955065

CC(C)(C)c1ccc(C2c3ccnn3CCCN2C(=O)Nc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.40
CCR1 P32246 1/20 0.40
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 2/20 0.39
ATM Q13315 2/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
CNR1 P21554 1/20 0.36
ALDH1A1 P00352 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
SERPINE1 P05121 1/20 0.35
PDGFRB P09619 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL3953865 0.85 CNR2 (0.39) CNR2CCR1MAPTKDM4ETAS1R3
SCHEMBL3955850 0.84 KDM4E (0.41) KDM4ETAS1R3TAS1R1TAS1R2RAB9A
SCHEMBL3951105 0.83 MAPT (0.41) CNR2CCR1MAPTKDM4ETAS1R3
SCHEMBL4049747 0.81 SHMT2 (0.47) CNR2CCR1MAPTKDM4ETAS1R3
SCHEMBL3957075 0.78 LHCGR (0.51) CCR1MAPTKDM4ETAS1R3TAS1R1
SCHEMBL4046956 0.76 ADRA2C (0.46) CNR2CCR1MAPTKDM4ETAS1R3
SCHEMBL3955856 0.76 KDM4E (0.43) MAPTKDM4E
SCHEMBL13904933 0.76 CCR1 (0.46) CCR1TAS1R3TAS1R1TAS1R2
SCHEMBL4048628 0.76 CCR1 (0.44) CNR2CCR1MAPTKDM4ETAS1R3
SCHEMBL4053387 0.75 TAS1R3 (0.46) MAPTKDM4ETAS1R3TAS1R1TAS1R2

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 CNR2 1/4885CCR1 596/4885MAPT 4415/4885

“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.