SCHEMBL2309237

SCHEMBL2309237

O=C(O)C1CCCC1C(=O)c1ccc(-c2ccc(Nc3nc4ccccc4[nH]3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
DGAT1 O75907 12/20 0.57
AKR1C3 P42330 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
DDX3X O00571 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PLK4 O00444 1/20 0.46
AURKA O14965 1/20 0.46
ROCK2 O75116 1/20 0.46
MAP4K4 O95819 1/20 0.46
CHEK2 O96017 1/20 0.46
PIM1 P11309 1/20 0.46
AXL P30530 1/20 0.46
FLT4 P35916 1/20 0.46
FLT3 P36888 1/20 0.46
CSNK1D P48730 1/20 0.46
GSK3A P49840 1/20 0.46

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
SCHEMBL2310397 1.00 CYP1A2 (0.58) CYP1A2DGAT1AKR1C3NPC1RAB9A
SCHEMBL2310394 1.00 CYP1A2 (0.58) CYP1A2DGAT1AKR1C3NPC1RAB9A
SCHEMBL1748153 0.86 DGAT1 (0.59) CYP1A2DGAT1AKR1C3NPC1RAB9A
SCHEMBL5984327 0.86 DGAT1 (0.59) CYP1A2DGAT1AKR1C3NPC1RAB9A
Bicarbonate SCHEMBL2316045 0.85 SMN1; SMN2 (0.56) CYP1A2AKR1C3NPC1RAB9ASMN1; SMN2
SCHEMBL1748082 0.85 DGAT1 (0.50) DGAT1POLB
SCHEMBL1748084 0.85 DGAT1 (0.50) DGAT1POLB
SCHEMBL1748083 0.85 DGAT1 (0.50) DGAT1POLB
SCHEMBL2315781 0.84 DGAT1 (0.52) CYP1A2DGAT1
SCHEMBL2313108 0.84 DGAT1 (0.52) CYP1A2DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8013166-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER HEALTHCARE LLC (US) 2011-09-06 US disclosed
EP-1633722-B1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2011-08-03 EP disclosed
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER 2009-10-29 US disclosed
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2009-08-06 US disclosed
US-7423156-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-09 US disclosed
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-31 US disclosed
US-7091228-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2006-08-15 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-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC CYP1A2 98/4885DGAT1 34/4885AKR1C3 260/4885
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC CYP1A2 98/4885DGAT1 34/4885AKR1C3 260/4885
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC CYP1A2 98/4885DGAT1 34/4885AKR1C3 260/4885

“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.