SCHEMBL1635913

SCHEMBL1635913

CCCC(CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.50
CHRM1 P11229 1/20 0.50
AKR1A1 P14550 1/20 0.50
CHRM3 P20309 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KIF11 P52732 13/20 0.47
GRIN2D O15399 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
OPRM1 P35372 2/20 0.42
CACNA1F O60840 1/20 0.42

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
Bromide SCHEMBL1634342 0.97 DRD3 (0.47) DRD3CHRM1AKR1A1CHRM3HTR2A
SCHEMBL1633684 0.86 CYP1A2 (0.47) DRD3KIF11GRIN2DGRIN1GRIN2A
Bromide SCHEMBL1634846 0.83 CYP1A2 (0.44) DRD3KIF11GRIN2DGRIN1GRIN2A
Bromide SCHEMBL1634339 0.82 KIF11 (0.38) DRD3CHRM1AKR1A1CHRM3HTR2A
SCHEMBL5088090 0.73 CHRM1 (0.68) DRD3CHRM1AKR1A1CHRM3HTR2A
SCHEMBL4550704 0.73 CYP1A2 (0.70) DRD3CHRM1AKR1A1CHRM3HTR2A
SCHEMBL6657008 0.73 CYP1A2 (0.70) DRD3CHRM1AKR1A1CHRM3HTR2A
SCHEMBL656271 0.72 ESR1 (0.49) DRD3CHRM1AKR1A1CHRM3HTR2A
SCHEMBL1869110 0.71 HDAC1 (0.59) DRD3CHRM1AKR1A1CHRM3HTR2A
SCHEMBL7168982 0.71 MME (0.45) HDAC1HDAC2KIF11

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
US-7932290-B2 Method for the treatment of metabolic disorders WELLSTAT BIOLOGICS CORPORATION (US) 2011-04-26 US disclosed
US-20100087541-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2010-04-08 US disclosed
US-7615575-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2009-11-10 US disclosed
US-7605181-B2 Method for the treatment of metabolic disorders Wellstat Therapeutics Orporation (US) 2009-10-20 US disclosed
US-20080015254-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2008-01-17 US disclosed
US-20060247309-A1 Compounds for the treatment of metabolic disorders PHARMA CINQ, LLC 2006-11-02 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-20100087541-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS CPT1B, FABP1, CPT1A DRD3 2579/4885CHRM1 157/4885AKR1A1 161/4885
US-20080015254-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS CPT1B, FABP1, CPT1A DRD3 2579/4885CHRM1 157/4885AKR1A1 161/4885
US-20060247309-A1 Compounds for the treatment of metabolic disorders CPT1B, CPT1A, FABP1 DRD3 3928/4885CHRM1 488/4885AKR1A1 97/4885

“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.