SCHEMBL5093733

SCHEMBL5093733

CC(C)(C)OC(=O)N1CCCC1CNCc1cc2ccccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.47
OPRD1 P41143 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
KDM1A O60341 1/20 0.44
ACKR3 P25106 2/20 0.44
MMP13 P45452 1/20 0.43
PDE7B Q9NP56 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41
ALDH1A1 P00352 1/20 0.40
F2RL3 Q96RI0 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PRMT5 O14744 1/20 0.40
ADRB2 P07550 1/20 0.39
CYP2A6 P11509 1/20 0.39
POLB P06746 1/20 0.39
USP30 Q70CQ3 1/20 0.39
TSHR P16473 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
SCHEMBL5093720 1.00 METTL3 (0.47) METTL3OPRD1HRH3KDM1AACKR3
SCHEMBL5097526 0.83 MMP13 (0.43) METTL3ACKR3MMP13ADRB2CYP2A6
SCHEMBL5097271 0.82 METTL3 (0.46) METTL3OPRD1KDM1APDE7BL3MBTL1
SCHEMBL5097274 0.82 METTL3 (0.46) METTL3OPRD1KDM1APDE7BL3MBTL1
SCHEMBL3506151 0.82 MMP13 (0.49) METTL3OPRD1KDM1AMMP13PDE7B
SCHEMBL3506148 0.82 MMP13 (0.49) METTL3OPRD1KDM1AMMP13PDE7B
SCHEMBL5100301 0.81 METTL3 (0.52) METTL3OPRD1KDM1APDE7BFPR3
SCHEMBL5100296 0.81 METTL3 (0.52) METTL3OPRD1KDM1APDE7BFPR3
SCHEMBL1682323 0.80 OPRD1 (0.52) METTL3OPRD1HRH3KDM1AL3MBTL1
SCHEMBL25650104 0.80 OPRD1 (0.52) METTL3OPRD1HRH3KDM1AL3MBTL1

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 3600/4885HRH3 1089/4885

“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.