SCHEMBL3506151

SCHEMBL3506151

CC(C)(C)OC(=O)N1CCC[C@H]1CNCc1cc2ccccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.49
ADAM10 O14672 1/20 0.49
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP3 P08254 1/20 0.49
MMP14 P50281 1/20 0.49
ADAM17 P78536 1/20 0.49
OPRD1 P41143 1/20 0.46
PREP P48147 1/20 0.46
METTL3 Q86U44 1/20 0.45
KDM1A O60341 1/20 0.45
EPHX2 P34913 1/20 0.43
PDE7B Q9NP56 1/20 0.43
ALDH1A1 P00352 1/20 0.43
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
F2RL3 Q96RI0 2/20 0.40
PRMT5 O14744 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
SCHEMBL3506148 1.00 MMP13 (0.49) MMP13ADAM10MMP1MMP2MMP3
Trifluoroacetic Acid SCHEMBL5100039 0.95 MMP13 (0.47) MMP13ADAM10MMP1MMP2MMP3
Trifluoroacetic Acid SCHEMBL5815006 0.95 MMP13 (0.47) MMP13ADAM10MMP1MMP2MMP3
SCHEMBL14138680 0.85 ADAM10 (0.46) MMP13ADAM10MMP1MMP2MMP3
SCHEMBL4585745 0.84 ADAM10 (0.54) MMP13ADAM10MMP1MMP2MMP3
SCHEMBL5100293 0.83 MMP13 (0.44) MMP13ADAM10MMP1MMP2MMP3
SCHEMBL5100296 0.82 METTL3 (0.52) OPRD1METTL3KDM1APDE7BALDH1A1
SCHEMBL5100301 0.82 METTL3 (0.52) OPRD1METTL3KDM1APDE7BALDH1A1
SCHEMBL5093720 0.82 METTL3 (0.47) MMP13OPRD1METTL3KDM1APDE7B
SCHEMBL5093733 0.82 METTL3 (0.47) MMP13OPRD1METTL3KDM1APDE7B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100247540-A1 Methods and Compositions For Modulating Angiogenesis CHEMOCENTRYX, INC. (US) 2010-09-30 US disclosed
US-20100247540-A1 Methods and Compositions For Modulating Angiogenesis CHEMOCENTRYX, INC. (US) 2010-09-30 US disclosed
US-20100247540-A1 Methods and Compositions For Modulating Angiogenesis CHEMOCENTRYX, INC. (US) 2010-09-30 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
US-20050214287-A1 Methods and compositions for modulating angiogenesis CHEMOCENTRYX, INC. (US) 2005-09-29 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 (3 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 MMP13 2356/4885ADAM10 4255/4885MMP1 4620/4885
US-20050214287-A1 Methods and compositions for modulating angiogenesis VEGFA, FLT4, PGF MMP13 58/4885ADAM10 779/4885MMP1 90/4885
US-20100247540-A1 Methods and Compositions For Modulating Angiogenesis VEGFA, FLT4, PGF MMP13 58/4885ADAM10 779/4885MMP1 90/4885

“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.