SCHEMBL4917954

SCHEMBL4917954

CN1CCN(C(=O)C(N)Cc2ccc(Oc3ccc(CCC(=O)O)cc3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.50
HSD17B10 Q99714 1/20 0.47
CHRM1 P11229 3/20 0.46
HDAC8 Q9BY41 4/20 0.45
SRD5A2 P31213 1/20 0.45
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
AKT1 P31749 1/20 0.44
AKT2 P31751 1/20 0.44
AKT3 Q9Y243 1/20 0.44
HRH2 P25021 5/20 0.43
HRH1 P35367 5/20 0.43
DPP4 P27487 1/20 0.43
FAP Q12884 1/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP9 Q86TI2 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
OPRK1 P41145 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
SCHEMBL4914576 0.92 HSD17B10 (0.43) FFAR1HSD17B10CHRM1HDAC8POLB
SCHEMBL4917134 0.86 FKBP1A (0.50) FFAR1HDAC8SRD5A2POLBFFAR4
SCHEMBL4925531 0.86 FFAR1 (0.50) FFAR1HDAC8SRD5A2POLBFFAR4
SCHEMBL5130653 0.85 HRH2 (0.48) HSD17B10CHRM1HDAC8POLBL3MBTL1
SCHEMBL14115841 0.81 AKT1 (0.42) FFAR1HDAC8AKT1AKT2AKT3
SCHEMBL14021703 0.81 AKT1 (0.42) FFAR1HDAC8AKT1AKT2AKT3
Hydrochloric Acid SCHEMBL4597128 0.80 AKT1 (0.41) FFAR1HDAC8POLBAKT1AKT2
SCHEMBL27154397 0.80 HSD17B10 (0.71) HSD17B10CHRM1HDAC8AKT1AKT2
SCHEMBL11226904 0.80 HSD17B10 (0.71) HSD17B10CHRM1HDAC8AKT1AKT2
SCHEMBL7214004 0.80 HSD17B10 (0.71) HSD17B10CHRM1HDAC8AKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080175795-A1 Novel derivatives of amino acids for treatment of obesity and related disorders BEXEL PHARMACEUTICALS, INC. 2008-07-24 US claimed
US-20080175795-A1 Novel derivatives of amino acids for treatment of obesity and related disorders BEXEL PHARMACEUTICALS, INC. 2008-07-24 US disclosed
US-20080175795-A1 Novel derivatives of amino acids for treatment of obesity and related disorders BEXEL PHARMACEUTICALS, INC. 2008-07-24 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 (1 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-20080175795-A1 Novel derivatives of amino acids for treatment of obesity and related disorders GPR119, AADAT, FABP4 FFAR1 14/4885HSD17B10 477/4885CHRM1 4459/4885

“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.