SCHEMBL4084671

SCHEMBL4084671

CC(=O)N1CCN(c2nc(-c3ccc(Cl)cc3)nc3ccc(Cl)cc23)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.54
MTOR P42345 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.51
GBA1 P04062 6/20 0.50
GRIA1 P42261 2/20 0.49
CLK1 P49759 1/20 0.49
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 1/20 0.45
NCF1 P14598 1/20 0.45
CNR2 P34972 1/20 0.44
SMO Q99835 1/20 0.44
PIK3CA P42336 1/20 0.44

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
SCHEMBL4095307 0.92 MEN1 (0.53) HDAC3MTORHDAC1HDAC2HDAC6
SCHEMBL4090401 0.88 GBA1 (0.64) ABCG2GBA1USP2TSHRALDH1A1
SCHEMBL4097528 0.86 MEN1 (0.54) HDAC3MTORHDAC1HDAC2HDAC6
SCHEMBL4095097 0.84 HDAC3 (0.62) HDAC3MTORHDAC1HDAC2HDAC6
SCHEMBL4095191 0.83 MAPT (0.62) ABCG2GBA1CLK1NPSR1ALDH1A1
SCHEMBL4095231 0.82 ACP1 (0.58) HDAC3MTORHDAC1HDAC2HDAC6
SCHEMBL4365740 0.82 AKT1 (0.51) GRIA1CLK1NCF1CNR2SMO
SCHEMBL13984098 0.81 MEN1 (0.53) HDAC3MTORHDAC1HDAC2HDAC6
SCHEMBL4353441 0.80 AKT1 (0.47) MTORGBA1GRIA1CLK1MAPT
SCHEMBL4091890 0.79 NPSR1 (0.57) HDAC3MTORHDAC1HDAC2HDAC6

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
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
US-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-08-20 US disclosed
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 WO 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-20090209536-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE CNR2, CNR1, GPR18 HDAC3 3168/4885MTOR 1146/4885HDAC1 4051/4885

“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.