SCHEMBL13666115

SCHEMBL13666115

O=C(O)c1ccccc1NC(=O)N1CCC(c2c[nH]c3ccccc23)C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.59
KDM4E B2RXH2 2/20 0.56
BRD4 O60885 1/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
CREBBP Q92793 1/20 0.56
CCR2 P41597 8/20 0.55
RBP4 P02753 2/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
ATM Q13315 1/20 0.50
CHRM4 P08173 1/20 0.48

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
SCHEMBL5205141 0.78 HSD11B1 (0.63) HSD11B1KDM4EBRD4ALDH1A1POLB
SCHEMBL16801592 0.77 KDM4E (0.85) HSD11B1KDM4EBRD4ALDH1A1POLB
SCHEMBL5705116 0.76 KDM4E (0.78) HSD11B1KDM4EBRD4ALDH1A1POLB
SCHEMBL5202689 0.75 HSD11B1 (0.67) HSD11B1KDM4EBRD4ALDH1A1POLB
SCHEMBL27201572 0.75 HSD11B1 (0.64) HSD11B1KDM4EBRD4ALDH1A1POLB
SCHEMBL14032692 0.75 RBP4 (0.57) KDM4EALDH1A1RBP4CYP2D6CYP2C19
SCHEMBL25406211 0.74 CCR2 (0.53) HSD11B1KDM4EBRD4ALDH1A1POLB
SCHEMBL16801948 0.74 KDM4E (0.70) HSD11B1KDM4EBRD4ALDH1A1POLB
SCHEMBL13853726 0.74 KDM4E (0.74) HSD11B1KDM4EBRD4ALDH1A1POLB
SCHEMBL23951533 0.73 NPC1 (0.59) KDM4EALDH1A1POLBCCR2

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-20090258862-A1 Niacin receptor agonists, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258862-A1 Niacin receptor agonists, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
WO-2007027532-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-03-08 WO 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-20090258862-A1 Niacin receptor agonists, compositions containing such compounds and methods of treatment LDLR, APOB, FFAR1 HSD11B1 696/4885KDM4E 4844/4885BRD4 4146/4885

“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.