SCHEMBL14340939

SCHEMBL14340939

COC(=O)CCc1ccc(-c2cnn(Cc3ccccc3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
CREBBP Q92793 3/20 0.53
NAMPT P43490 1/20 0.53
FFAR4 Q5NUL3 1/20 0.52
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
DHODH Q02127 1/20 0.47
HDAC1 Q13547 1/20 0.44
AGTR1 P30556 1/20 0.44
AGTR2 P50052 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
KCNH2 Q12809 1/20 0.43
KLKB1 P03952 1/20 0.43

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
Methyl 3-Phenylpropanoate SCHEMBL9424369 0.80 TDP1 (0.61) CYP11B1CYP11B2HDAC8
SCHEMBL14466725 0.79 L3MBTL1 (0.71) L3MBTL1CREBBPNAMPTFFAR4DHODH
SCHEMBL3466222 0.79 L3MBTL1 (0.50) L3MBTL1CREBBPNAMPTFFAR4DHODH
SCHEMBL4827768 0.79 FFAR1 (0.65) FFAR4HDAC1
SCHEMBL480043 0.79 FFAR1 (0.65) FFAR4HDAC1
SCHEMBL14340938 0.78 HCAR2 (0.68) CYP2C9
SCHEMBL16518822 0.78 L3MBTL1 (0.51) L3MBTL1CREBBPNAMPTFFAR4DHODH
SCHEMBL14340937 0.77 KDM4E (0.53) CYP2C9
SCHEMBL14466721 0.77 L3MBTL1 (0.71) L3MBTL1CREBBPNAMPTFFAR4DHODH
SCHEMBL25365603 0.76 L3MBTL1 (0.76) L3MBTL1CREBBPNAMPTFFAR4DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-06 US disclosed
US-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-06 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-20070281969-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment GPR119, FFAR1, HCAR1 L3MBTL1 4878/4885CREBBP 2715/4885NAMPT 12/4885

“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.