SCHEMBL5100655

SCHEMBL5100655

CC(C)(C)OC(=O)N1CCC[C@H]1CNCc1cc2ccccc2cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.48
OPRD1 P41143 1/20 0.45
PRMT5 O14744 1/20 0.45
KDM1A O60341 1/20 0.44
PDE7B Q9NP56 1/20 0.42
POLB P06746 2/20 0.41
TACR1 P25103 1/20 0.41
CHEK2 O96017 1/20 0.41
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41
AHCY P23526 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 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
SCHEMBL5100665 1.00 METTL3 (0.48) METTL3OPRD1PRMT5KDM1APDE7B
SCHEMBL14098568 0.86 METTL3 (0.48) METTL3OPRD1PRMT5KDM1APDE7B
SCHEMBL14098552 0.85 OPRD1 (0.47) METTL3OPRD1PRMT5KDM1APDE7B
SCHEMBL5100300 0.83 METTL3 (0.47) METTL3OPRD1PRMT5KDM1APDE7B
SCHEMBL5100305 0.83 METTL3 (0.47) METTL3OPRD1PRMT5KDM1APDE7B
SCHEMBL5100301 0.83 METTL3 (0.52) METTL3OPRD1PRMT5KDM1APDE7B
SCHEMBL5100296 0.83 METTL3 (0.52) METTL3OPRD1PRMT5KDM1APDE7B
SCHEMBL14098546 0.83 TACR1 (0.38) METTL3PRMT5TACR1MEN1KMT2A
SCHEMBL14098480 0.81 METTL3 (0.46) METTL3OPRD1PRMT5KDM1APDE7B
SCHEMBL1682323 0.80 OPRD1 (0.52) METTL3OPRD1PRMT5KDM1AFPR3

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 5 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-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-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
WO-2006038989-A1 SUBSTITUTED ARYLAMIDES CHEMOCENTRYX, INC. (US) 2006-04-13 WO 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 3600/4885PRMT5 1189/4885

“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.