SCHEMBL4524903

SCHEMBL4524903

Nc1cccnc1N1CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.49
AKR1C1 Q04828 1/20 0.46
KMT2A Q03164 4/20 0.46
TET3 O43151 1/20 0.46
FBXL19 Q6PCT2 1/20 0.46
CXXC5 Q7LFL8 1/20 0.46
TET1 Q8NFU7 1/20 0.46
KDM2B Q8NHM5 1/20 0.46
CXXC4 Q9H2H0 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
MLYCD O95822 2/20 0.46
KCNH2 Q12809 4/20 0.42
MALT1 Q9UDY8 2/20 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
SCHEMBL4701417 0.81 GRIN2D (0.43) OPRD1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL4537782 0.80 CYP1A2 (0.60) KMT2ACYP2C19MEN1
Trifluoroacetic Acid SCHEMBL3070940 0.74 PTPN11 (0.41) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22597907 0.74 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3078495 0.74 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14206533 0.73 GRIN2D (0.42) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10278269 0.73 GRIN2D (0.42) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3436016 0.73 GRIN2D (0.42) OPRD1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL4524152 0.72 NEK2 (0.67) KMT2AGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3422626 0.72 MLYCD (0.53) OPRD1KMT2AMLYCDCYP2C19MEN1

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-7501440-B2 Substituted benzoylureidopyridylpiperidine-and-pyrrolidinecarboxylic acid derivatives, processes for preparing them and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-10 US disclosed
US-20040266768-A1 Substituted benzoylureidopyridylpiperidine-and-pyrrolidinecarboxylic acid derivatives, processes for preparing them and their use AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-12-30 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-20040266768-A1 Substituted benzoylureidopyridylpiperidine-and-pyrrolidinecarboxylic acid derivatives, processes for preparing them and their use SLC5A2, HPD, DPP4 OPRD1 1527/4885AKR1C1 666/4885KMT2A 3869/4885

“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.