SCHEMBL19009037

SCHEMBL19009037

CNC(=O)CC1CN(C)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
BRD4 O60885 1/20 0.33
MCL1 Q07820 1/20 0.32
LMNA P02545 1/20 0.32
MAP4K4 O95819 1/20 0.32
EPHX1 P07099 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
GAA P10253 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 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
SCHEMBL19010250 0.86 MAP4K4 (0.38) MAP4K4EPHX1KEAP1NFE2L2
SCHEMBL19010255 0.83 SMN1; SMN2 (0.41) EPHX1HPGDKMT2AKEAP1NFE2L2
SCHEMBL18502528 0.81 POLB (0.41) ALDH1A1BRD4LMNAEPHX1HPGD
SCHEMBL18506005 0.79 ALDH1A1 (0.32) ALDH1A1MCL1LMNAMAP4K4
SCHEMBL13255642 0.79 KEAP1 (0.43) MAP4K4EPHX1HPGDKMT2AKEAP1
SCHEMBL17082787 0.79 CHRNB2 (0.41) ALDH1A1MAP4K4EPHX1
SCHEMBL19022017 0.79 KMT2A (0.38) MCL1KMT2AGAAKEAP1NFE2L2
SCHEMBL26272048 0.78 BRD4 (0.31) BRD4
SCHEMBL18389826 0.78 CHRM5 (0.40) ALDH1A1KMT2A
SCHEMBL104261 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
EP-4248968-A2 TLR7/8 ANTAGONISTS AND USES THEREOF Merck Patent GmbH (DE) 2023-09-27 EP disclosed
EP-3655401-B1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-06 EP disclosed
US-10793553-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2020-10-06 US disclosed
WO-2020025517-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-02-06 WO disclosed
US-20190023687-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-01-24 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 (4 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 ALDH1A1 2648/4885BRD4 970/4885MCL1 471/4885
US-20190023687-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ALDH1A1 2465/4885BRD4 1142/4885MCL1 698/4885
US-10793553-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 ALDH1A1 2465/4885BRD4 1142/4885MCL1 698/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ALDH1A1 2465/4885BRD4 1142/4885MCL1 698/4885

“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.