SCHEMBL5034969

SCHEMBL5034969

CCNC(=O)CN(C)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.41
FAAH O00519 1/20 0.40
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
KMT2A Q03164 4/20 0.33
LMNA P02545 2/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
MEN1 O00255 3/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
GAA P10253 1/20 0.31
CAPN1 P07384 1/20 0.31

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
SCHEMBL24773822 0.80 FAAH (0.45) MCL1FAAHMMP1MMP2MMP3
SCHEMBL8434249 0.80 MCL1 (0.38) MCL1FAAHMMP1MMP2MMP3
SCHEMBL4578116 0.80 MEN1 (0.37) MCL1KMT2AMEN1ALDH1A1TSHR
SCHEMBL13614831 0.80 CNR1 (0.40) FAAHKMT2AMEN1ALDH1A1
SCHEMBL582964 0.80 ALDH1A1 (0.31) KMT2AMEN1ALDH1A1GAA
SCHEMBL1829003 0.80
SCHEMBL8956908 0.79 MEN1 (0.37) KMT2ALMNAMEN1RAB9A
SCHEMBL17133316 0.79 CNR2 (0.32) MMP9LMNAALDH1A1RAB9A
SCHEMBL18999998 0.79 CYP2C19 (0.45) MMP1MMP8KMT2ALMNAALDH1A1
SCHEMBL29955423 0.79 MCL1 (0.36) MCL1FAAHMMP1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP claimed
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
WO-2017106607-A1 POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS MERCK PATENT GMBH (DE) 2017-06-22 WO disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 US disclosed
EP-2928884-B1 NOVEL BENZIMIDAZOLE DERIVATIVES AS EP4 ANTAGONISTS Bayer Pharma AG (DE) 2017-05-24 EP 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 (2 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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 MCL1 471/4885FAAH 1883/4885MMP1 4705/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 MCL1 698/4885FAAH 1409/4885MMP1 4719/4885

“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.