SCHEMBL17645281

SCHEMBL17645281

CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccc(N)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.51
NPC1 O15118 1/20 0.46
NR1H2 P55055 1/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PPID Q08752 1/20 0.44
HSD17B10 Q99714 2/20 0.43
UCHL1 P09936 1/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL1791760 1.00 RIPK1 (0.51) RIPK1NPC1NR1H2ALDH1A1LMNA
SCHEMBL30912588 1.00 RIPK1 (0.51) RIPK1NPC1NR1H2ALDH1A1LMNA
SCHEMBL1991706 0.96 RIPK1 (0.47) RIPK1NPC1NR1H2ALDH1A1LMNA
SCHEMBL22688967 0.87 NPSR1 (0.54) RIPK1NPC1ALDH1A1LMNANPSR1
SCHEMBL22772314 0.87 RIPK1 (0.52) RIPK1NPC1ALDH1A1LMNANPSR1
SCHEMBL23064586 0.87 RIPK1 (0.52) RIPK1NPC1ALDH1A1LMNANPSR1
SCHEMBL21611379 0.87 RIPK1 (0.52) RIPK1NPC1ALDH1A1LMNANPSR1
SCHEMBL17151023 0.87 NPSR1 (0.54) RIPK1NPC1ALDH1A1LMNANPSR1
SCHEMBL30678216 0.86 GPR119 (0.53) RIPK1NPC1ALDH1A1LMNANPSR1
SCHEMBL18406186 0.86 ALDH1A1 (0.52) RIPK1NPC1ALDH1A1LMNANPSR1

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
EP-4619406-A1 TRICYCLIC COMPOUNDS Schrödinger, Inc. (US) 2025-09-24 EP disclosed
WO-2024107393-A1 TRICYCLIC COMPOUNDS SCHRÖDINGER, INC. (US) 2024-05-23 WO disclosed
EP-3517536-B1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2021-05-05 EP disclosed
EP-3517536-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-07-31 EP disclosed
US-10253019-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-04-09 US disclosed
US-20180370955-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2018-12-27 US disclosed
US-10040781-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2018-08-07 US disclosed
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 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-20180370955-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS RIPK1 15/4885NPC1 2146/4885NR1H2 2487/4885
US-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS RIPK1 15/4885NPC1 2146/4885NR1H2 2487/4885
US-10040781-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS RIPK1 15/4885NPC1 2146/4885NR1H2 2487/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS RIPK1 15/4885NPC1 2146/4885NR1H2 2487/4885

“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.