SCHEMBL19009042

SCHEMBL19009042

CCNC(=O)C1CCN(CC)CC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.63
CCR8 P51685 1/20 0.48
BCHE P06276 1/20 0.48
GNAI3 P08754 2/20 0.47
GNAO1 P09471 2/20 0.47
GNAI1 P63096 2/20 0.47
HRH3 Q9Y5N1 1/20 0.45
EPHX2 P34913 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD11B1 P28845 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
ALOX15 P16050 1/20 0.41
CYP46A1 Q9Y6A2 1/20 0.41
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41

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
SCHEMBL11919050 0.90 SMN1; SMN2 (0.53) SMN1; SMN2CCR8BCHEGNAI3GNAO1
SCHEMBL10108953 0.85 SMN1; SMN2 (0.51) SMN1; SMN2CCR8GNAI3GNAO1GNAI1
SCHEMBL19021853 0.85 GNAI3 (0.55) SMN1; SMN2CCR8BCHEGNAI3GNAO1
SCHEMBL17285633 0.85 GNAI3 (0.55) SMN1; SMN2GNAI3GNAO1GNAI1KDM4E
SCHEMBL8212540 0.82 SMN1; SMN2 (0.60) SMN1; SMN2BCHEGNAI3GNAO1GNAI1
SCHEMBL12719407 0.82 BCHE (0.49) SMN1; SMN2CCR8BCHEGNAI3GNAO1
SCHEMBL13061270 0.82 SMN1; SMN2 (0.51) SMN1; SMN2GNAI3GNAO1GNAI1EPHX2
SCHEMBL19009046 0.82 KDM4E (0.56) SMN1; SMN2CCR8BCHEGNAI3GNAO1
SCHEMBL1678458 0.81
SCHEMBL8282846 0.81 SMN1; SMN2 (0.63) SMN1; SMN2GNAI3GNAO1GNAI1EPHX2

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
US-20230303514-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2023-09-28 US disclosed
WO-2023065014-A1 CONJUGATES COMPRISING ANTIFUNGALS AND HEAT SHOCK PROTEIN 90 (HSP90) INHIBITORS AND METHODS OF USE THEREOF BRIGHT ANGEL THERAPEUTICS INC. (CA) 2023-04-27 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
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 (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 SMN1; SMN2 1984/4885CCR8 37/4885BCHE 4796/4885
US-20190330183-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 SMN1; SMN2 1984/4885CCR8 37/4885BCHE 4796/4885
US-10544122-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 SMN1; SMN2 1984/4885CCR8 37/4885BCHE 4796/4885
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 SMN1; SMN2 2610/4885CCR8 28/4885BCHE 4775/4885

“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.