SCHEMBL4123671

SCHEMBL4123671

CC(C)(CCN)N1CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3837834 0.85
SCHEMBL3409676 0.84 POLB (0.31) SIGMAR1POLBSMN1; SMN2
SCHEMBL8078558 0.82 SIGMAR1 (0.33) SIGMAR1
SCHEMBL3912391 0.81 NPC1 (0.32)
Ammonia Solution, Strong SCHEMBL28024639 0.80 SIGMAR1 (0.33) SIGMAR1
SCHEMBL18499722 0.79 GNAO1 (0.34) SIGMAR1POLBSMN1; SMN2
SCHEMBL22570088 0.77 CA2 (0.35) SIGMAR1POLBSMN1; SMN2
SCHEMBL6627321 0.76 POLB (0.32) SIGMAR1POLBSMN1; SMN2
SCHEMBL18993549 0.76 GNAO1 (0.40) SIGMAR1
SCHEMBL5707113 0.75 CYP2D6 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 US disclosed
US-20220396565-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-12-15 US disclosed
EP-3013824-A1 CARBOLINE COMPOUNDS USABLE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Alzprotect (FR) 2016-05-04 EP disclosed
WO-2015091532-A1 PYRROLOPYRIMIDINE DERIVATIVES AS PI3K INHIBITORS ALMIRALL, S.A. (ES) 2015-06-25 WO disclosed
WO-2014207240-A1 CARBOLINE COMPOUNDS USABLE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES ALZPROTECT (FR) 2014-12-31 WO disclosed
EP-2681221-A1 TRICYCLIC INHIBITORS OF KINASES AbbVie Inc. (US) 2014-01-08 EP disclosed
WO-2012161812-A1 TRICYCLIC INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2012-11-29 WO disclosed
US-20090247559-A1 Benzofuropyrimidinones EXELIXIS, INC. (US) 2009-10-01 US disclosed
EP-2097419-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS Exelixis, Inc. (US) 2009-09-09 EP disclosed
WO-2009086264-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS, INC. (US) 2009-07-09 WO disclosed
EP-1345603-A4 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO INC (US) 2004-09-08 EP disclosed
US-6683093-B2 ENZYME INHIBITORS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE PHARMACIA CORPORATION 2004-01-27 US disclosed
EP-1345603-A1 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS Merck & Co., Inc. (US) 2003-09-24 EP disclosed
WO-2002058695-A1 (HALO-BENZO CARBONYL)HETEROCYCLO FUSED PHENYL P38 KINASE INHIBITING AGENTS MERCK & CO., INC. (US) 2002-08-01 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 (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-20090247559-A1 Benzofuropyrimidinones F12, BRI3BP, BRD1 SIGMAR1 647/4885POLB 1929/4885SMN1; SMN2 1926/4885
US-20220396565-A1 NOVEL HETEROCYCLIC COMPOUNDS MRPL21, F12, MRPS34 SIGMAR1 1497/4885POLB 1730/4885SMN1; SMN2 2004/4885
US-20230017532-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 SIGMAR1 797/4885POLB 2009/4885SMN1; SMN2 2011/4885

“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.