SCHEMBL1120896

SCHEMBL1120896

CCOC(=O)c1c(C)c2ccc(OCCN(Cc3ccccc3)C[C@H](O)c3cccc(N(Cc4ccccc4)S(C)(=O)=O)c3)cc2n1C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
NR1H3 Q13133 2/20 0.37
MAOB P27338 3/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
HPGD P15428 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALK Q9UM73 1/20 0.33
KCNA5 P22460 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
SCHEMBL1120784 0.85 NPSR1 (0.39) GAANR1H3MAOBMAOAACHE
SCHEMBL7526000 0.78 NR1H3 (0.40) NR1H3MAOBMAOAACHEMEN1
SCHEMBL7248052 0.78 NR1H3 (0.40) NR1H3MAOBMAOAACHEMEN1
SCHEMBL7244459 0.78 NR1H3 (0.40) NR1H3MAOBMAOAACHEMEN1
SCHEMBL2239656 0.78 GRM2 (0.35) NR1H3MAOBMAPTALDH1A1CYP1A2
SCHEMBL2239649 0.78 GRM2 (0.35) NR1H3MAOBMAPTALDH1A1CYP1A2
SCHEMBL5193993 0.78 NR1H3 (0.37) POLBNR1H3MAOBMAOAACHE
SCHEMBL5194303 0.78 NR1H3 (0.38) POLBNR1H3MAOBMAOAACHE
Hydrochloric Acid SCHEMBL7655444 0.73 GRM2 (0.43) POLBMEN1KMT2AALDH1A1
SCHEMBL7244999 0.73 GRM2 (0.47) POLBMEN1KMT2AALDH1A1

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-1935882-B1 Bicyclic compounds ASAHI KASEI PHARMA CORP (JP) 2011-02-09 EP disclosed
US-7598284-B2 Indazole compounds as B3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2009-10-06 US disclosed
US-7511069-B2 Indazole compounds as β3 andrenoceptor agonist ASAHI PHARMA CORPORATION (JP) 2009-03-31 US disclosed
EP-1935882-A1 Bicyclic compounds Asahi Kasei Pharma Corporation (JP) 2008-06-25 EP disclosed
US-20080076815-A1 Indole compounds as B3 androceptor agonist ASHI KASEI PHARMA CORPORATION (JP) 2008-03-27 US disclosed
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ASAHI KASEI PHARMA CORPORATION (JP) 2008-01-17 US disclosed
US-7271190-B2 Indazole compounds as β3 adrenoceptor agonist ASAHI KASEI PHARMA CORPORATION (JP) 2007-09-18 US disclosed
US-20050020602-A1 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 US disclosed
EP-1447400-A1 BICYCLIC COMPOUND Asahi Kasei Pharma Corporation (JP) 2004-08-18 EP 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-20050020602-A1 Bicyclic compound GOT1, H1-0, HSD11B1 GAA 4572/4885POLB 2714/4885NR1H3 287/4885
US-20080076815-A1 Indole compounds as B3 androceptor agonist OPRL1, NPBWR1, NPY4R GAA 4868/4885POLB 4384/4885NR1H3 215/4885
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ADRB3, ADRB2, OPRD1 GAA 4799/4885POLB 4246/4885NR1H3 117/4885

“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.