SCHEMBL5107224

SCHEMBL5107224

COc1ccc(C(=O)N(CC2CCCN2C(C)C)c2cccc(-c3ccccc3)c2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 3/20 0.44
▸ CHRM3 P20309 4/20 0.43
▸ CHRM5 P08912 3/20 0.43
▸ CHRM1 P11229 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ REN P00797 3/20 0.41
▸ MCHR1 Q99705 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 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
SCHEMBL5107223 1.00 ACKR3 (0.44) ACKR3CHRM3CHRM5CHRM1SMN1; SMN2
SCHEMBL14098582 0.85 ACKR3 (0.47) ACKR3CHRM3CHRM5CHRM1SMN1; SMN2
SCHEMBL5093635 0.85 ACKR3 (0.47) ACKR3CHRM3CHRM5CHRM1SMN1; SMN2
SCHEMBL5100389 0.84 ACKR3 (0.44) ACKR3CHRM3CHRM5CHRM1SMN1; SMN2
SCHEMBL5100394 0.84 ACKR3 (0.44) ACKR3CHRM3CHRM5CHRM1SMN1; SMN2
SCHEMBL5106527 0.83 USP30 (0.43) ACKR3CHRM3CHRM5CHRM1SMN1; SMN2
SCHEMBL5106523 0.83 USP30 (0.43) ACKR3CHRM3CHRM5CHRM1SMN1; SMN2
SCHEMBL5097461 0.81 ACKR3 (0.40) ACKR3CHRM3CHRM5CHRM1SMN1; SMN2
SCHEMBL5097466 0.81 ACKR3 (0.40) ACKR3CHRM3CHRM5CHRM1SMN1; SMN2
SCHEMBL5106420 0.79 PDE4A (0.41) ACKR3CHRM3CHRM5CHRM1SMN1; SMN2

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 claimed
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
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 ACKR3 4347/4885CHRM3 4821/4885CHRM5 4857/4885

“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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