SCHEMBL18999998

SCHEMBL18999998

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 6/20 0.40
MMP1 P03956 1/20 0.39
MMP8 P22894 1/20 0.39
EPHX1 P07099 1/20 0.38
RECQL P46063 1/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34
EPHX2 P34913 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL23264015 0.87 CYP2D6 (0.35) CYP2C19CYP2D6HPGDMMP1MMP8
SCHEMBL14577473 0.82 CYP2D6 (0.46) CYP2C19CYP2D6HPGDMMP1MMP8
SCHEMBL14577204 0.81 CYP2D6 (0.50) CYP2C19CYP2D6HPGDMMP1MMP8
SCHEMBL23489768 0.81 CYP2D6 (0.42) CYP2C19CYP2D6HPGDMMP1MMP8
SCHEMBL5034969 0.79 MCL1 (0.41) MMP1MMP8KMT2ALMNARAB9A
SCHEMBL22951128 0.77 KMT2A (0.42) HPGDEPHX1SMN1; SMN2KMT2ALMNA
SCHEMBL15218650 0.77 CYP2D6 (0.38) CYP2C19CYP2D6HPGDMMP1MMP8
SCHEMBL25128749 0.76 CYP2D6 (0.45) CYP2C19CYP2D6HPGDMMP1MMP8
SCHEMBL18858943 0.76 CYP2D6 (0.41) CYP2C19CYP2D6HPGDMMP1MMP8
SCHEMBL22035847 0.75 MEN1 (0.44) EPHX1KMT2ALMNAGAAALDH1A1

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
EP-3889145-A1 8-CYANO-5-PIPERIDINO-QUINOLINES AS TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 EP disclosed
EP-3889146-A1 POLYHETEROCYCLIC TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 EP disclosed
US-10544122-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-01-28 US disclosed
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-10-31 US disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 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 (3 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-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CYP2C19 3098/4885CYP2D6 2791/4885HPGD 3856/4885
US-10544122-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 CYP2C19 3098/4885CYP2D6 2791/4885HPGD 3856/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CYP2C19 2398/4885CYP2D6 2085/4885HPGD 3824/4885

“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.