SCHEMBL584450

SCHEMBL584450

CC(C)(C)OC(=O)N1CC2CN(Cc3ccccc3)CC2C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.55
KCNK9 Q9NPC2 3/20 0.55
JAK2 O60674 1/20 0.53
JAK1 P23458 1/20 0.53
GPR119 Q8TDV5 2/20 0.49
GRIN2B Q13224 1/20 0.49
NR1H2 P55055 1/20 0.49
STS P08842 1/20 0.47
NAMPT P43490 1/20 0.47
RORC P51449 1/20 0.46
S1PR1 P21453 1/20 0.46
S1PR5 Q9H228 1/20 0.46
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45

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
SCHEMBL649847 1.00 KCNK3 (0.55) KCNK3KCNK9JAK2JAK1GPR119
SCHEMBL16053284 1.00 KCNK3 (0.55) KCNK3KCNK9JAK2JAK1GPR119
Hydrochloric Acid SCHEMBL6093599 0.99 KCNK3 (0.54) KCNK3KCNK9JAK2JAK1GPR119
Hydrochloric Acid SCHEMBL6095348 0.99 KCNK3 (0.54) KCNK3KCNK9JAK2JAK1GPR119
SCHEMBL6609217 0.94 KCNK3 (0.50) KCNK3KCNK9JAK2JAK1GPR119
SCHEMBL16376097 0.92 KCNK3 (0.56) KCNK3KCNK9JAK2JAK1GPR119
SCHEMBL16963755 0.91 JAK2 (0.56) KCNK3KCNK9JAK2JAK1GPR119
SCHEMBL3335624 0.91 JAK2 (0.62) KCNK3KCNK9JAK2JAK1GPR119
SCHEMBL3642479 0.91 JAK2 (0.56) KCNK3KCNK9JAK2JAK1GPR119
SCHEMBL6636263 0.89 JAK2 (0.52) KCNK3KCNK9JAK2JAK1GPR119

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 160 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12378254-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2025-08-05 US disclosed
EP-4472963-A1 DGK TARGETING COMPOUNDS AND USES THEREOF Arvinas Operations, Inc. (US) 2024-12-11 EP disclosed
US-12162882-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors PRINCIPIA BIOPHARMAC, INC. (US) 2024-12-10 US disclosed
US-20240109901-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-04-04 US disclosed
US-20240092777-A1 Quinolone Derivatives as Fibroblast Growth Factor Receptor Inhibitors PRINCIPIA BIOPHARMA INC. (US) 2024-03-21 US disclosed
WO-2023150186-A1 DGK TARGETING COMPOUNDS AND USES THEREOF ARVINAS OPERATIONS, INC. (US) 2023-08-10 WO disclosed
US-11667644-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2023-06-06 US disclosed
US-11667644-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2023-06-06 US disclosed
US-11667644-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2023-06-06 US disclosed
US-RE48841-E1 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2021-12-07 US disclosed
WO-2005084667-A1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX, INC. (US) 2005-09-15 WO disclosed
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease ABBVIE INC. 2005-05-12 US disclosed
US-20050065178-A1 Substituted diazabicycloakane derivatives ABBOTT LABORATORIES 2005-03-24 US disclosed
US-6858565-B2 Thermosensitive recording material and novel color developer compounds OJI PAPER CO., LTD. (JP) 2005-02-22 US disclosed
US-6809105-B2 (CIS)-6-(3-PYRIDINYL)-3,6-DIAZABICYCLO(3.2.0) HEPTANE FOR EXAMPLE; ALZHEIMER'S DISEASE, PARKINSON'S DISEASE, ATTENTION DEFICIT HYPERACTIVITY DISORDER, DEPRESSION, NICOTINIC WITHDRAWAL SYNDROME, TOURETTE'S SYNDROME, AND SCHIZOPHRENIA ABBOTT LABORATORIES 2004-10-26 US disclosed
US-20040186107-A1 Diazabicyclic central nervous system active agents ABBVIE INC. 2004-09-23 US disclosed
US-20030040434-A1 Thermosensitive recording material and novel color developer compounds OJI PAPER CO., LTD. (JP) 2003-02-27 US disclosed
EP-1264707-A2 Thermosensitive recording material and novel color developer compounds OJI PAPER CO., LTD. (JP) 2002-12-11 EP disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO 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 (8 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-12162882-B2 Quinolone derivatives as fibroblast growth factor receptor inhibitors FGFR1, FGFR3, FGFR2 KCNK3 4019/4885KCNK9 3933/4885JAK2 268/4885
US-20050065178-A1 Substituted diazabicycloakane derivatives CHRNA7, CHRNA1, CHRNA5 KCNK3 129/4885KCNK9 130/4885JAK2 2087/4885
US-20240109901-A1 DISUBSTITUTED OCTAHYDROPYRROLO[3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS HCRTR2, HCRTR1, OXTR KCNK3 1434/4885KCNK9 1786/4885JAK2 2711/4885
US-20040186107-A1 Diazabicyclic central nervous system active agents GAP43, GABRE, CHRNA6 KCNK3 1260/4885KCNK9 1495/4885JAK2 4094/4885
US-12378254-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR KCNK3 1434/4885KCNK9 1786/4885JAK2 2711/4885
US-20240092777-A1 Quinolone Derivatives as Fibroblast Growth Factor Receptor Inhibitors FGFR1, FGFR3, FGFR2 KCNK3 4019/4885KCNK9 3933/4885JAK2 268/4885
US-20050101602-A1 For example, 3-(6-phenyl-pyridazin-3-yl)-3,8-diaza-bicyclo[3.2.1]octane; for treatment or prevention of conditions and disorders related to nAChR activity, and more particularly alpha 7 nAChR activity, such as attention deficit disorder, attention deficit hyperactivity disorder, Alzheimer's disease CHRNA7, CHRNA2, CHRNA6 KCNK3 709/4885KCNK9 681/4885JAK2 4588/4885
US-11667644-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR KCNK3 1434/4885KCNK9 1786/4885JAK2 2711/4885

“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.