SCHEMBL5100301

SCHEMBL5100301

CC(C)(C)OC(=O)N1CCCC1CNCc1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.52
OPRD1 P41143 1/20 0.47
NPY5R Q15761 3/20 0.46
KDM1A O60341 1/20 0.46
PRMT5 O14744 1/20 0.44
NPY1R P25929 1/20 0.43
PDE7B Q9NP56 1/20 0.42
CXCR4 P61073 1/20 0.42
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42
ALDH1A1 P00352 1/20 0.42
AHCY P23526 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PPIA P62937 1/20 0.41
CHEK2 O96017 1/20 0.41
FKBP1A P62942 1/20 0.41

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
SCHEMBL5100296 1.00 METTL3 (0.52) METTL3OPRD1NPY5RKDM1APRMT5
SCHEMBL1682323 0.87 OPRD1 (0.52) METTL3OPRD1KDM1APRMT5FPR3
SCHEMBL25650104 0.87 OPRD1 (0.52) METTL3OPRD1KDM1APRMT5FPR3
SCHEMBL31392628 0.86 NR1H2 (0.45) OPRD1KDM1APRMT5MEN1KMT2A
SCHEMBL17056240 0.84 USP30 (0.49) METTL3OPRD1KDM1APRMT5PDE7B
SCHEMBL5100655 0.83 METTL3 (0.48) METTL3OPRD1KDM1APRMT5PDE7B
SCHEMBL5100665 0.83 METTL3 (0.48) METTL3OPRD1KDM1APRMT5PDE7B
SCHEMBL3693402 0.83 APP (0.48) METTL3OPRD1KDM1APDE7BFPR3
SCHEMBL20794631 0.83 APP (0.48) METTL3OPRD1KDM1APDE7BFPR3
SCHEMBL3693406 0.83 APP (0.48) METTL3OPRD1KDM1APDE7BFPR3

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-7417062-B2 e.g. N (S)-(1-Cyclohexylmethyl-pyrrolidine-2-ylmethyl)-3,4-dimethoxy-N-naphthalen-2-ylmethyl-benzamide; inhibit the binding of the SDF-1 (CXCL12) chemokine or I-TAC (CXCL11) to the chemokine receptor CCXCKR2; anticarcinogenic agent; breast, lymph nodes, bone marrow, and lungs cancer CHEMOCENTRYX, INC. (US) 2008-08-26 US disclosed
US-20060074071-A1 Substituted arylamides CHEMOCENTRYX, INC. (US) 2006-04-06 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-20060074071-A1 Substituted arylamides AADAC, BRDT, BRPF3 METTL3 2554/4885OPRD1 3600/4885NPY5R 4555/4885

“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.