SCHEMBL7063618

SCHEMBL7063618

CC(C)(C)ON(C=O)NCc1cnccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
VNN1 O95497 3/20 0.33
HPGDS O60760 1/20 0.32
NAMPT P43490 2/20 0.32
CYP2C9 P11712 2/20 0.32
IDO1 P14902 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
CHRM4 P08173 1/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7061210 0.81 SMN1; SMN2 (0.42) NPC1RAB9ASMN1; SMN2
SCHEMBL7064438 0.77 CYP1A2 (0.49) TP53MAPTRAB9ACYP1A2CYP3A4
SCHEMBL7061205 0.75 RAB9A (0.40) NAMPTRAB9ASMN1; SMN2
SCHEMBL7058272 0.72 CYP2C19 (0.35) CHRM4NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL7059913 0.72 TAAR1 (0.37) CD274
SCHEMBL5754895 0.70 HRH3 (0.48) NPC1MAPTRAB9ACYP1A2CYP2C19
SCHEMBL5373022 0.69 ADH1B (0.42) MAPTRAB9ASMN1; SMN2CYP3A4
SCHEMBL13090073 0.68 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC6VNN1
SCHEMBL6376648 0.68 CHRNB2 (0.51) CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL7059655 0.68 TSHR (0.41) MAPTRAB9ASMN1; 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 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 HDAC3 1340/4885HDAC1 1448/4885HDAC2 3115/4885

“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.