SCHEMBL5107233

SCHEMBL5107233

COc1cc(C(=O)N(C[C@@H]2CCCN2C(=O)OC(C)(C)C)c2cccc(-c3ccccc3)c2)ccc1OC(F)F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 6/20 0.42
▸ PDE4A P27815 5/20 0.39
▸ PDE4B Q07343 5/20 0.39
▸ PDE4C Q08493 5/20 0.39
▸ USP30 Q70CQ3 3/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ACKR3 P25106 2/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ CHRM5 P08912 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ REN P00797 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35

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
SCHEMBL5107240 1.00 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CUSP30
SCHEMBL5106527 0.93 USP30 (0.43) PDE4DPDE4APDE4BPDE4CUSP30
SCHEMBL5106523 0.93 USP30 (0.43) PDE4DPDE4APDE4BPDE4CUSP30
SCHEMBL5097461 0.84 ACKR3 (0.40) PDE4DPDE4APDE4BPDE4CL3MBTL1
SCHEMBL5097466 0.84 ACKR3 (0.40) PDE4DPDE4APDE4BPDE4CL3MBTL1
SCHEMBL5106420 0.83 PDE4A (0.41) PDE4DPDE4APDE4BPDE4CL3MBTL1
SCHEMBL5106417 0.83 PDE4A (0.41) PDE4DPDE4APDE4BPDE4CL3MBTL1
SCHEMBL5107223 0.79 ACKR3 (0.44) PDE4DPDE4APDE4BPDE4CACKR3
SCHEMBL5107224 0.79 ACKR3 (0.44) PDE4DPDE4APDE4BPDE4CACKR3
SCHEMBL5100156 0.78 GHSR (0.52) PDE4DPDE4APDE4BPDE4CREN

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 PDE4D 3019/4885PDE4A 2340/4885PDE4B 1965/4885

“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.

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