SCHEMBL5097195

SCHEMBL5097195

CC(C)(C)OC(=O)N1CCC[C@H]1CNc1cccc(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 3/20 0.49
▸ OPRD1 P41143 1/20 0.48
▸ PRMT5 O14744 1/20 0.47
▸ KDM1A O60341 1/20 0.47
▸ ACKR3 P25106 1/20 0.46
▸ FPR3 P25089 1/20 0.45
▸ FPR2 P25090 1/20 0.45
▸ UCHL1 P09936 1/20 0.44
▸ NR1H2 P55055 3/20 0.43
▸ RXRA P19793 2/20 0.43
▸ NR1H3 Q13133 2/20 0.43
▸ TGFBR1 P36897 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CFD P00746 1/20 0.42
▸ PTPN2 P17706 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ PTPN6 P29350 1/20 0.42

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
SCHEMBL5100434 1.00 USP30 (0.49) USP30OPRD1PRMT5KDM1AACKR3
SCHEMBL12311356 0.90 OPRD1 (0.53) USP30OPRD1PRMT5KDM1AACKR3
SCHEMBL2542454 0.86 APP (0.49) OPRD1PRMT5KDM1AFPR3FPR2
SCHEMBL2290600 0.83 USP30 (0.43) USP30OPRD1PRMT5KDM1AFPR3
SCHEMBL2290596 0.83 USP30 (0.43) USP30OPRD1PRMT5KDM1AFPR3
SCHEMBL4308226 0.83 PRMT5 (0.50) OPRD1PRMT5KDM1AACKR3FPR3
SCHEMBL4308216 0.83 PRMT5 (0.50) OPRD1PRMT5KDM1AACKR3FPR3
SCHEMBL12479834 0.83 CFD (0.57) OPRD1PRMT5KDM1AFPR3FPR2
SCHEMBL12479831 0.83 CFD (0.57) OPRD1PRMT5KDM1AFPR3FPR2
SCHEMBL4313122 0.82 PRMT5 (0.49) USP30OPRD1PRMT5KDM1AACKR3

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 USP30 1703/4885OPRD1 3600/4885PRMT5 1189/4885

“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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