SCHEMBL14349870

SCHEMBL14349870

COc1ccc2c(c1)CCc1c(CCC(=O)Nc3ccccc3C(=O)O)nn(Cc3ccccc3)c1-2

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 12/20 0.63
▸ CYP2C9 P11712 5/20 0.63
▸ CYP2C8 P10632 4/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TP53 P04637 1/20 0.41

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
SCHEMBL14349872 0.94 HCAR2 (0.56) HCAR2CYP2C9CYP2C8SMN1; SMN2LMNA
SCHEMBL14349875 0.88 HCAR2 (0.81) HCAR2CYP2C9CYP2C8KMT2AHSD17B10
SCHEMBL14349873 0.85 SMN1; SMN2 (0.51) HCAR2CYP2C9SMN1; SMN2LMNANPSR1
SCHEMBL14349877 0.82 HCAR2 (0.70) HCAR2CYP2C9CYP2C8ALDH1A1KMT2A
SCHEMBL14349859 0.80 HCAR2 (0.79) HCAR2CYP2C9CYP2C8SMN1; SMN2LMNA
SCHEMBL14349868 0.80 HCAR2 (0.56) HCAR2CYP2C9CYP2C8KMT2AHSD17B10
SCHEMBL14349876 0.79 HCAR2 (0.81) HCAR2CYP2C9CYP2C8KMT2AHSD17B10
SCHEMBL14349874 0.78 HCAR2 (1.00) HCAR2CYP2C9CYP2C8
SCHEMBL14349860 0.77 HCAR2 (0.57) HCAR2CYP2C9CYP2C8SMN1; SMN2LMNA
SCHEMBL14349879 0.73 HCAR2 (0.70) HCAR2CYP2C9CYP2C8ALDH1A1KMT2A

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-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-27 — — US disclosed
US-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-27 — — 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-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment LDLR, APOB, FFAR1 HCAR2 20/4885CYP2C9 973/4885CYP2C8 1313/4885

“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.

Send feedback