SCHEMBL4886946

SCHEMBL4886946

CCCCCc1nc(C(=O)OCC)c(C)n1CCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
SIRT2 Q8IXJ6 4/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
TNF P01375 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
APAF1 O14727 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
GRK6 P43250 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL5726677 0.82 CNR2 (0.40) SIRT2CNR2ALDH1A1HTTTNF
SCHEMBL4861460 0.71 MAPK1 (0.43) AGTR1AGTR2ALDH1A1TP53KDM4E
SCHEMBL5727260 0.70 KDM4E (0.39) ALDH1A1TNFLMNATP53KDM4E
SCHEMBL9277280 0.70 SIRT2 (0.43) AGTR1AGTR2SIRT2CNR2ALDH1A1
SCHEMBL5726908 0.69 HPGD (0.43) ALDH1A1TNFL3MBTL1KDM4EAPAF1
SCHEMBL12926023 0.67 KMT2A (0.46) ALDH1A1TP53KDM4EGAAMAPT
SCHEMBL9310663 0.67 GPR84 (0.43) ALDH1A1HTTLMNATP53KDM4E
SCHEMBL28937824 0.67 ALDH1A1 (0.44) ALDH1A1HTTL3MBTL1LMNAGAA
SCHEMBL26375451 0.67 TP53 (0.46) ALDH1A1LMNATP53KDM4EGAA
SCHEMBL20503315 0.67 NPSR1 (0.50) ALDH1A1LMNAMEN1GAAMAPT

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-20080262066-A1 Azole Derivatives as Cannabinoid CB1 Receptor Antagonists GREEN CROSS CORPORATION (KR) 2008-10-23 US disclosed
WO-2008105607-A1 HETEROARYL-IMIDAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS GREEN CROSS CORPORATION (KR) 2008-09-04 WO disclosed
US-20080207704-A1 HETEROARYL-IMIDAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS THE GREEN CROSS CORPORATION (KR) 2008-08-28 US disclosed
US-20080207705-A1 Heteroaryl-Imidazole Derivatives as Cannabinoid CB1 Receptor Antagonists GREEN CROSS CORPORATION (KR) 2008-08-28 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 (3 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-20080207704-A1 HETEROARYL-IMIDAZOLE DERIVATIVES AS CANNABINOID CB1 RECEPTOR ANTAGONISTS CNR2, CNR1, GPR119 AGTR1 130/4885AGTR2 87/4885SIRT2 517/4885
US-20080207705-A1 Heteroaryl-Imidazole Derivatives as Cannabinoid CB1 Receptor Antagonists CNR2, CNR1, GPR119 AGTR1 123/4885AGTR2 94/4885SIRT2 740/4885
US-20080262066-A1 Azole Derivatives as Cannabinoid CB1 Receptor Antagonists CNR1, CNR2, GPR119 AGTR1 24/4885AGTR2 21/4885SIRT2 1334/4885

“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.