SCHEMBL19009679

SCHEMBL19009679

CCN(CC)C1CCN(C(C)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ACKR3 P25106 1/20 0.44
MAPT P10636 2/20 0.43
CBX7 O95931 2/20 0.43
CDYL2 Q8N8U2 2/20 0.43
CDYL Q9Y232 2/20 0.43
MAPK1 P28482 1/20 0.42
EPHX2 P34913 3/20 0.41
EPHX1 P07099 1/20 0.41
LMNA P02545 1/20 0.40
PTBP1 P26599 1/20 0.40
CYP1A2 P05177 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CDY1; CDY1B Q9Y6F8 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL8152193 0.89 KMT2A (0.41) ALDH1A1L3MBTL1ACKR3MAPTCBX7
SCHEMBL10196415 0.89 KMT2A (0.41) ALDH1A1L3MBTL1ACKR3MAPTCBX7
SCHEMBL14344778 0.82 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPTMAPK1EPHX2
SCHEMBL3940873 0.82 ACKR3 (0.43) ALDH1A1L3MBTL1ACKR3MAPTCBX7
SCHEMBL7970805 0.82 ACKR3 (0.43) ALDH1A1ACKR3MAPTCBX7CDYL2
SCHEMBL20160959 0.81 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPTMAPK1EPHX2
SCHEMBL19652207 0.79 ACKR3 (0.41) ACKR3CBX7CDYL2CDYLCDY1; CDY1B
SCHEMBL19000005 0.79 ACKR3 (0.41) ALDH1A1ACKR3CBX7CDYL2CDYL
SCHEMBL13662566 0.79 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTMAPK1EPHX2
SCHEMBL13397444 0.78 GAA (0.44) ALDH1A1L3MBTL1MAPTMAPK1LMNA

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 8 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
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
EP-3889146-A1 POLYHETEROCYCLIC TLR7/8 ANTAGONISTS AND THEIR USES FOR TREATING IMMUNE DISORDERS Merck Patent GmbH (DE) 2021-10-06 EP 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-3390389-B1 POLYCYCLIC TLR7/8 ANTAGONISTS AND USE THEREOF IN THE TREATMENT OF IMMUNE DISORDERS MERCK PATENT GMBH (DE) 2021-05-19 EP disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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

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-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ALDH1A1 2648/4885L3MBTL1 2469/4885ACKR3 138/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 ALDH1A1 2465/4885L3MBTL1 3637/4885ACKR3 135/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 ALDH1A1 1563/4885L3MBTL1 3326/4885ACKR3 1580/4885

“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.