SCHEMBL19000000

SCHEMBL19000000

CC(C)CN1CCC(N2CCOCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
PIK3CD O00329 2/20 0.40
USP2 O75604 1/20 0.39
HTR7 P34969 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL3 Q96JM7 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
OPRL1 P41146 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
TLR9 Q9NR96 3/20 0.35
TLR8 Q9NR97 3/20 0.35
TLR7 Q9NYK1 3/20 0.35
HRH3 Q9Y5N1 1/20 0.34
KDM2B Q8NHM5 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
SCHEMBL18951861 0.86 USP2 (0.46) ALDH1A1KDM4EUSP2HTR7SMN1; SMN2
SCHEMBL3419403 0.85 PIK3CD (0.40) ALDH1A1PIK3CDUSP2HRH3
SCHEMBL3418365 0.83 PIK3CD (0.46) ALDH1A1PIK3CDUSP2SMN1; SMN2OPRL1
SCHEMBL13656174 0.82 MEN1 (0.41) ALDH1A1PIK3CDL3MBTL3L3MBTL1TLR9
SCHEMBL12726849 0.81 HRH3 (0.42) ALDH1A1KDM4EPIK3CDL3MBTL3L3MBTL1
SCHEMBL200033 0.80 USP2 (0.58) ALDH1A1KDM4EPIK3CDUSP2SMN1; SMN2
SCHEMBL18177694 0.79 L3MBTL1 (0.37) KDM4EPIK3CDL3MBTL3L3MBTL1TLR9
SCHEMBL7905712 0.79 KMT2A (0.50) ALDH1A1KDM4EHTR7SMN1; SMN2L3MBTL3
SCHEMBL3421713 0.78 PIK3CD (0.45) KDM4EPIK3CDSMN1; SMN2TLR9TLR8
SCHEMBL25371459 0.78 TLR9 (0.37) PIK3CDSMN1; SMN2TLR9TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024100139-A1 USE OF IFN-I ACTIVITY AS A BIOMARKER FOR TLR INHIBITOR TREATMENT MERCK PATENT GMBH (DE) 2024-05-16 WO disclosed
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-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 US disclosed
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-04-22 US disclosed
US-10947213-B1 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2021-03-16 US disclosed
US-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-10-08 US disclosed
WO-2020025517-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-02-06 WO disclosed
US-10399957-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2019-09-03 US disclosed
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 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 (6 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-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ALDH1A1 2071/4885KDM4E 3866/4885PIK3CD 3125/4885
US-20210115013-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ALDH1A1 2896/4885KDM4E 2099/4885PIK3CD 2543/4885
US-10947213-B1 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 ALDH1A1 2648/4885KDM4E 1863/4885PIK3CD 2707/4885
US-10399957-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 ALDH1A1 2465/4885KDM4E 1982/4885PIK3CD 2032/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ALDH1A1 2465/4885KDM4E 1982/4885PIK3CD 2032/4885
US-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ALDH1A1 2764/4885KDM4E 1906/4885PIK3CD 2329/4885

“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.