SCHEMBL4368746

SCHEMBL4368746

CCOc1ccccc1-c1nc(C(=O)NN2CCCCC2)c(C)n1CC1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.46
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CNR1 P21554 4/20 0.40
POLB P06746 1/20 0.40
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FAAH O00519 2/20 0.38
TP53 P04637 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL3928673 0.89 CNR2 (0.43) CNR2MEN1KMT2ACNR1TSHR
SCHEMBL3921909 0.89 TNK2 (0.42) CNR2ALDH1A1KDM4EHSD17B10CNR1
SCHEMBL4379578 0.88 ALDH1A1 (0.44) CNR2ALDH1A1MEN1MAPTKMT2A
SCHEMBL3925385 0.82 CNR2 (0.48) CNR2CNR1FAAHTP53
SCHEMBL4375072 0.80 CNR1 (0.49) CNR2CNR1GAA
SCHEMBL3916763 0.80 CNR1 (0.43) CNR2CNR1GAATP53LMNA
SCHEMBL14365696 0.78 GRIN1 (0.40) ALDH1A1MEN1KMT2AHTTNPSR1
SCHEMBL4369468 0.77 KCNH2 (0.41) CNR2CNR1SMN1; SMN2
SCHEMBL3921031 0.77 CNR1 (0.40) CNR2CNR1
SCHEMBL3929150 0.75 CNR1 (0.42) CNR2MEN1KMT2ACNR1GAA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1749002-B1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-05-27 EP claimed
EP-1749002-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F.HOFFMANN-LA ROCHE AG (CH) 2007-02-07 EP claimed
WO-2005108393-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2005-11-17 WO claimed
US-20050250769-A1 Heterocyclic cannabinoid receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 US claimed
US-7563910-B2 Heterocyclic cannabinoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2009-07-21 US disclosed
EP-1749002-B1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-05-27 EP disclosed
EP-1749002-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F.HOFFMANN-LA ROCHE AG (CH) 2007-02-07 EP disclosed
WO-2005108393-A1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY F. HOFFMANN-LA ROCHE AG (CH) 2005-11-17 WO disclosed
US-20050250769-A1 Heterocyclic cannabinoid receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 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-20050250769-A1 Heterocyclic cannabinoid receptor antagonists CNR1, CNR2, GPR18 CNR2 2/4885ALDH1A1 1201/4885MEN1 2649/4885

“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.