SCHEMBL5106993

SCHEMBL5106993

CC(C)(C)OC(=O)N1CCCC1CNCc1nc(-c2ccccc2)cs1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 8/20 0.46
UCHL1 P09936 4/20 0.46
METTL3 Q86U44 1/20 0.45
OPRD1 P41143 1/20 0.44
PRMT5 O14744 1/20 0.43
CPT1A P50416 1/20 0.42
KDM1A O60341 1/20 0.42
TRPV1 Q8NER1 2/20 0.42
PTPRB P23467 1/20 0.42
ACKR3 P25106 2/20 0.42
PDE7B Q9NP56 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
SCHEMBL5106989 1.00 USP30 (0.46) USP30UCHL1METTL3OPRD1PRMT5
SCHEMBL5100715 0.84 ACKR3 (0.59) USP30UCHL1METTL3OPRD1PRMT5
SCHEMBL5100713 0.84 ACKR3 (0.59) USP30UCHL1METTL3OPRD1PRMT5
SCHEMBL14138711 0.84 USP30 (0.42) USP30UCHL1CPT1APTPRBACKR3
SCHEMBL5106755 0.83 ACKR3 (0.48) USP30UCHL1METTL3OPRD1PRMT5
SCHEMBL5106756 0.83 ACKR3 (0.48) USP30UCHL1METTL3OPRD1PRMT5
SCHEMBL5097274 0.81 METTL3 (0.46) METTL3OPRD1PRMT5KDM1APDE7B
SCHEMBL5097271 0.81 METTL3 (0.46) METTL3OPRD1PRMT5KDM1APDE7B
SCHEMBL25650104 0.80 OPRD1 (0.52) METTL3OPRD1PRMT5KDM1A
SCHEMBL1682323 0.80 OPRD1 (0.52) METTL3OPRD1PRMT5KDM1A

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 4 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
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 1703/4885UCHL1 3036/4885METTL3 2554/4885

“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.