SCHEMBL7064438

SCHEMBL7064438

CC(C)(C)ON(C=O)NCc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
ALDH1A1 P00352 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 2/20 0.43
TP53 P04637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CHRM2 P08172 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.40
HK1 P19367 1/20 0.40
RAB9A P51151 1/20 0.40
HKDC1 Q2TB90 1/20 0.40

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
SCHEMBL7061205 0.83 RAB9A (0.40) ALDH1A1HTTLMNAKDM4ERAB9A
SCHEMBL5373022 0.83 ADH1B (0.42) LMNAMAPTTDP1KDM4ECYP3A4
SCHEMBL6376648 0.77 CHRNB2 (0.51) CYP1A2CYP2D6CYP3A4
SCHEMBL7063618 0.77 HDAC3 (0.35) CYP1A2MAPTTP53CYP3A4RAB9A
SCHEMBL7061210 0.74 SMN1; SMN2 (0.42) ALDH1A1CHRM2KDM4EKMT2AMEN1
SCHEMBL7110560 0.71 LMNA (0.35) ALDH1A1LMNAMAPTKDM4E
SCHEMBL7665647 0.71 CYP1A2 (0.62) CYP1A2CYP2D6ALDH1A1NPSR1HTT
SCHEMBL7059655 0.69 TSHR (0.41) ALDH1A1HTTLMNAMAPTPOLB
SCHEMBL5767277 0.69 ESR1 (0.41)
SCHEMBL13154263 0.69 CYP1A2 (0.59) CYP1A2CYP2D6ALDH1A1NPSR1HTT

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-20030162783-A1 Method and composition for the treatment of pain ASTRAZENECA AB (SE) 2003-08-28 US disclosed
EP-1248621-A1 METHOD AND COMPOSITION FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2002-10-16 EP disclosed
WO-2001047523-A1 METHOD AND COMPOSITION FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2001-07-05 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-20030162783-A1 Method and composition for the treatment of pain OPRK1, OPRD1, ACHE CYP1A2 678/4885CYP2D6 337/4885ALDH1A1 170/4885

“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.