SCHEMBL3058124

SCHEMBL3058124

CN(C(=O)c1ccc2ccccc2c1)[C@H](CC(N)=O)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.47
PLAU P00749 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
F7 P08709 1/20 0.42
OPRM1 P35372 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
PIN1 Q13526 1/20 0.41
TPH1 P17752 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL3055259 1.00 ACHE (0.47) ACHEPLAUKDM4EHPGDSMN1; SMN2
SCHEMBL3050026 1.00 ACHE (0.47) ACHEPLAUKDM4EHPGDSMN1; SMN2
SCHEMBL3047609 0.91 MEN1 (0.49) ACHEPLAUKDM4EHPGDSMN1; SMN2
SCHEMBL3055357 0.91 MAPK14 (0.47) ACHEPLAUKDM4EHPGDSMN1; SMN2
SCHEMBL3047603 0.91 MEN1 (0.49) ACHEPLAUKDM4EHPGDSMN1; SMN2
SCHEMBL3055132 0.91 MAPK14 (0.47) ACHEPLAUKDM4EHPGDSMN1; SMN2
SCHEMBL3045269 0.86 HTR1A (0.44) HPGDHCRTR1HCRTR2
SCHEMBL3059936 0.86 HTR1A (0.44) HPGDHCRTR1HCRTR2
SCHEMBL3058401 0.86 HTR1A (0.44) HPGDHCRTR1HCRTR2
SCHEMBL3058126 0.85 ACHE (0.47) ACHEPLAUKDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES CYP11B2, CYP11B1, BBC3 ACHE 868/4885PLAU 4494/4885KDM4E 1869/4885

“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.