SCHEMBL5100715

SCHEMBL5100715

CC(C)(C)OC(=O)N1CCCC1CNCc1csc(-c2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 5/20 0.59
DRD2 P14416 3/20 0.50
DRD4 P21917 2/20 0.50
DRD3 P35462 2/20 0.50
METTL3 Q86U44 1/20 0.49
OPRD1 P41143 1/20 0.46
PRMT5 O14744 1/20 0.45
KDM1A O60341 1/20 0.43
KDM4E B2RXH2 1/20 0.42
USP30 Q70CQ3 2/20 0.42
UCHL1 P09936 1/20 0.41
HPGD P15428 2/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41

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
SCHEMBL5100713 1.00 ACKR3 (0.59) ACKR3DRD2DRD4DRD3METTL3
SCHEMBL5106989 0.84 USP30 (0.46) ACKR3METTL3OPRD1PRMT5KDM1A
SCHEMBL5106993 0.84 USP30 (0.46) ACKR3METTL3OPRD1PRMT5KDM1A
SCHEMBL1682323 0.83 OPRD1 (0.52) METTL3OPRD1PRMT5KDM1AKDM4E
SCHEMBL25650104 0.83 OPRD1 (0.52) METTL3OPRD1PRMT5KDM1AKDM4E
SCHEMBL5100300 0.80 METTL3 (0.47) METTL3OPRD1PRMT5KDM1AKDM4E
SCHEMBL5100305 0.80 METTL3 (0.47) METTL3OPRD1PRMT5KDM1AKDM4E
SCHEMBL5106755 0.80 ACKR3 (0.48) ACKR3METTL3OPRD1PRMT5KDM1A
SCHEMBL5106756 0.80 ACKR3 (0.48) ACKR3METTL3OPRD1PRMT5KDM1A
SCHEMBL5100655 0.79 METTL3 (0.48) METTL3OPRD1PRMT5KDM1AKDM4E

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 3 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
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 ACKR3 4347/4885DRD2 4238/4885DRD4 3493/4885

“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.