SCHEMBL5097274

SCHEMBL5097274

CC(C)(C)OC(=O)N1CCCC1CNCc1nc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
OPRD1 P41143 1/20 0.45
KDM1A O60341 1/20 0.43
PDE7B Q9NP56 1/20 0.42
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42
GPR119 Q8TDV5 2/20 0.42
F2RL3 Q96RI0 2/20 0.41
ALDH1A1 P00352 3/20 0.41
PRMT5 O14744 1/20 0.41
TSHR P16473 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BCHE P06276 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 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
SCHEMBL5097271 1.00 METTL3 (0.46) METTL3L3MBTL1OPRD1KDM1APDE7B
SCHEMBL5093720 0.82 METTL3 (0.47) METTL3L3MBTL1OPRD1KDM1APDE7B
SCHEMBL5093733 0.82 METTL3 (0.47) METTL3L3MBTL1OPRD1KDM1APDE7B
SCHEMBL5106989 0.81 USP30 (0.46) METTL3OPRD1KDM1APDE7BPRMT5
SCHEMBL5106993 0.81 USP30 (0.46) METTL3OPRD1KDM1APDE7BPRMT5
SCHEMBL5100305 0.81 METTL3 (0.47) METTL3L3MBTL1OPRD1KDM1APDE7B
SCHEMBL5100300 0.81 METTL3 (0.47) METTL3L3MBTL1OPRD1KDM1APDE7B
SCHEMBL5106756 0.80 ACKR3 (0.48) METTL3L3MBTL1OPRD1KDM1APDE7B
SCHEMBL5106755 0.80 ACKR3 (0.48) METTL3L3MBTL1OPRD1KDM1APDE7B
SCHEMBL14098552 0.80 OPRD1 (0.47) METTL3L3MBTL1OPRD1KDM1APDE7B

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-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 2554/4885L3MBTL1 745/4885OPRD1 3600/4885

“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.