SCHEMBL1748033

SCHEMBL1748033

COC(=O)[C@H]1CCC[C@@H]1C(=O)c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
DGAT1 O75907 4/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 2/20 0.40
ATM Q13315 1/20 0.40
MMP2 P08253 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40

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
SCHEMBL1748131 1.00 SMN1; SMN2 (0.45) SMN1; SMN2CYP3A4TSHRDGAT1ALDH1A1
SCHEMBL1747953 1.00 SMN1; SMN2 (0.45) SMN1; SMN2CYP3A4TSHRDGAT1ALDH1A1
SCHEMBL1748132 1.00 SMN1; SMN2 (0.45) SMN1; SMN2CYP3A4TSHRDGAT1ALDH1A1
SCHEMBL1747951 1.00 SMN1; SMN2 (0.45) SMN1; SMN2CYP3A4TSHRDGAT1ALDH1A1
SCHEMBL12428693 1.00 SMN1; SMN2 (0.45) SMN1; SMN2CYP3A4TSHRDGAT1ALDH1A1
SCHEMBL1747952 1.00 SMN1; SMN2 (0.45) SMN1; SMN2CYP3A4TSHRDGAT1ALDH1A1
SCHEMBL10197512 1.00 SMN1; SMN2 (0.45) SMN1; SMN2CYP3A4TSHRDGAT1ALDH1A1
SCHEMBL1748035 0.97 SMN1; SMN2 (0.45) SMN1; SMN2CYP3A4TSHRALDH1A1HTT
SCHEMBL1748036 0.97 SMN1; SMN2 (0.45) SMN1; SMN2CYP3A4TSHRALDH1A1HTT
SCHEMBL1748037 0.97 SMN1; SMN2 (0.45) SMN1; SMN2CYP3A4TSHRALDH1A1HTT

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 10 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-7968576-B2 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity SMITH ROGER A 2011-06-28 US 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-20090253762-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY SMITH ROGER 2009-10-08 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
US-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2004-11-11 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 (5 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-20040224997-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC SMN1; SMN2 3975/4885CYP3A4 357/4885TSHR 881/4885
US-20060194859-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC SMN1; SMN2 3975/4885CYP3A4 357/4885TSHR 881/4885
US-20090270468-A1 Preparation and use of aryl alkyl acid derivatives for the treatment of obesity FABP4, GPR119, LIPC SMN1; SMN2 3975/4885CYP3A4 357/4885TSHR 881/4885
US-20090197795-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC SMN1; SMN2 3975/4885CYP3A4 357/4885TSHR 881/4885
US-20090253762-A1 PREPARATION AND USE OF ARYL ALKYL ACID DERIVATIVES FOR THE TREATMENT OF OBESITY FABP4, GPR119, LIPC SMN1; SMN2 3975/4885CYP3A4 357/4885TSHR 881/4885

“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.