SCHEMBL30077005

SCHEMBL30077005

CCNC(=O)c1cccc(N2CCCN(C3CCN(Cc4ccccc4Cl)CC3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.42
POLB P06746 1/20 0.42
HSD11B1 P28845 3/20 0.41
CXCR3 P49682 8/20 0.41
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CXCR4 P61073 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 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
SCHEMBL15347745 1.00 DRD4 (0.42) DRD4POLBHSD11B1CXCR3CHRM1
SCHEMBL30077139 0.92 CXCR3 (0.51) DRD4POLBHSD11B1CXCR3
SCHEMBL15347893 0.92 CXCR3 (0.51) DRD4POLBHSD11B1CXCR3
SCHEMBL30077029 0.91 CXCR4 (0.46) DRD4POLBHSD11B1CXCR4
SCHEMBL15347226 0.91 CXCR4 (0.46) DRD4POLBHSD11B1CXCR4
SCHEMBL30077152 0.90 CXCR3 (0.47) DRD4POLBHSD11B1CXCR3HRH3
SCHEMBL15347278 0.90 CXCR3 (0.47) DRD4POLBHSD11B1CXCR3HRH3
SCHEMBL15347512 0.90 ACKR3 (0.42) DRD4POLBHSD11B1CXCR3
SCHEMBL30077050 0.90 ACKR3 (0.42) DRD4POLBHSD11B1CXCR3
SCHEMBL15347471 0.89 ACKR3 (0.41) DRD4POLBHSD11B1CXCR3CHRM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220348577-A1 CXCR4 Receptor Antagonists PROXIMAGEN LLC (US) 2022-11-03 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-20220348577-A1 CXCR4 Receptor Antagonists CXCR4, CXCR1, CXCR2 DRD4 1573/4885POLB 4392/4885HSD11B1 1779/4885

“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.