SCHEMBL23264015

SCHEMBL23264015

CCN(C)CC(=O)NCC(C)CCN(C)CC(=O)NCC(C)C

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 4/20 0.33
MMP1 P03956 1/20 0.32
MMP8 P22894 1/20 0.32
RECQL P46063 1/20 0.31
EPHX1 P07099 1/20 0.31
USP2 O75604 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
LMNA P02545 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL18999998 0.87 CYP2C19 (0.45) CYP2D6CYP2C19HPGDMMP1MMP8
SCHEMBL19010431 0.80 CYP2D6 (0.36) CYP2D6CYP2C19HPGDMMP1MMP8
SCHEMBL15218650 0.73 CYP2D6 (0.38) CYP2D6CYP2C19HPGDMMP1MMP8
SCHEMBL14577473 0.71 CYP2D6 (0.46) CYP2D6CYP2C19HPGDMMP1MMP8
SCHEMBL14577204 0.70 CYP2D6 (0.50) CYP2D6CYP2C19HPGDMMP1MMP8
SCHEMBL23489768 0.70 CYP2D6 (0.42) CYP2D6CYP2C19HPGDMMP1MMP8
SCHEMBL22951128 0.70 KMT2A (0.42) HPGDEPHX1SMN1; SMN2LMNAKMT2A
SCHEMBL5034969 0.68 MCL1 (0.41) MMP1MMP8LMNARAB9AKMT2A
SCHEMBL19010433 0.67 CYP2D6 (0.33) CYP2D6CYP2C19HPGD
SCHEMBL25128749 0.66 CYP2D6 (0.45) CYP2D6CYP2C19HPGDMMP1MMP8

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-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-04-22 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-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CYP2D6 3082/4885CYP2C19 3278/4885HPGD 3748/4885

“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.