SCHEMBL5193993

SCHEMBL5193993

Cc1c(C(C)(C)C)[nH]c2cc(OCCN(Cc3ccccc3)C[C@H](O)c3cccc(N(Cc4ccccc4)S(C)(=O)=O)c3)ccc12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 3/20 0.37
ADRB3 P13945 5/20 0.36
MAOB P27338 2/20 0.34
MAOA P21397 2/20 0.34
ACHE P22303 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALK Q9UM73 1/20 0.33
GRM2 Q14416 1/20 0.33
ADRA1A P35348 3/20 0.32
HCRTR2 O43614 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL7526000 0.89 NR1H3 (0.40) NR1H3ADRB3MAOBMAOAACHE
SCHEMBL7248052 0.89 NR1H3 (0.40) NR1H3ADRB3MAOBMAOAACHE
SCHEMBL7244459 0.89 NR1H3 (0.40) NR1H3ADRB3MAOBMAOAACHE
SCHEMBL5194303 0.88 NR1H3 (0.38) NR1H3ADRB3MAOBMAOAACHE
SCHEMBL1120784 0.88 NPSR1 (0.39) NR1H3MAOBMAOAACHEALK
SCHEMBL1120896 0.78 GAA (0.42) NR1H3MAOBMAOAACHEMEN1
SCHEMBL7250840 0.76 ATM (0.40) NR1H3MAOBACHEMEN1KMT2A
SCHEMBL7244999 0.76 GRM2 (0.47) MEN1KMT2AGRM2LMNAPOLB
SCHEMBL2239649 0.75 GRM2 (0.35) NR1H3MAOBGRM2KCNH2
SCHEMBL2239656 0.75 GRM2 (0.35) NR1H3MAOBGRM2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1277736-B1 NOVEL BICYCLIC COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2007-08-08 EP disclosed
US-7049445-B2 Bicyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2006-05-23 US disclosed
US-6861444-B2 Bicyclic compounds ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-01 US disclosed
US-20040127546-A1 for treating or preventing diabetes, obesity, hyperlipidemia, digestive diseases, depression or urinary disturbances; beta 3-agonist ASAHI KASEI PHARMA CORPORATION (JP) 2004-07-01 US disclosed
US-20030191174-A1 Eating disorders; antidiabetic agents; gastrointestinal disorders ASAHI KASEI PHARMA CORPORATION (JP) 2003-10-09 US disclosed
EP-1277736-A1 NOVEL BICYCLIC COMPOUNDS Asahi Kasei Kabushiki Kaisha (JP) 2003-01-22 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 (2 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-20040127546-A1 for treating or preventing diabetes, obesity, hyperlipidemia, digestive diseases, depression or urinary disturbances; beta 3-agonist GPR119, ADRB3, DBH NR1H3 12/4885ADRB3 2/4885MAOB 489/4885
US-20030191174-A1 Eating disorders; antidiabetic agents; gastrointestinal disorders GPR119, GIPR, SLC5A2 NR1H3 315/4885ADRB3 953/4885MAOB 666/4885

“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.