SCHEMBL6906653

SCHEMBL6906653

CCCCCOc1nsnc1C1=CCC(C)N(C)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.64
CHRM4 P08173 3/20 0.63
CHRM2 P08172 2/20 0.63
CHRM5 P08912 2/20 0.63
CHRM3 P20309 2/20 0.63
HTR1A P08908 1/20 0.63
ADRA2A P08913 1/20 0.63
MAOA P21397 1/20 0.63
DRD1 P21728 1/20 0.63
ACHE P22303 1/20 0.63
SLC6A2 P23975 1/20 0.63
PDE4A P27815 1/20 0.63
SLC6A4 P31645 1/20 0.63
ADRA1A P35348 1/20 0.63
DRD3 P35462 1/20 0.63
HTR2B P41595 1/20 0.63
SLC6A3 Q01959 1/20 0.63
KCNH2 Q12809 1/20 0.63
CACNA1C Q13936 1/20 0.63
SCN5A Q14524 1/20 0.63

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
SCHEMBL6913512 0.99 CHRM1 (0.65) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6914061 0.96 CHRM1 (0.63) CHRM1CHRM4CHRM2CHRM5CHRM3
Oxalic Acid SCHEMBL7609546 0.94 CHRM1 (0.57) CHRM1CHRM4CHRM2CHRM5CHRM3
Oxalic Acid SCHEMBL7616315 0.93 CHRM1 (0.58) CHRM1CHRM4CHRM2CHRM5CHRM3
Oxalic Acid SCHEMBL7614578 0.90 CHRM1 (0.56) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6907602 0.88 CHRM1 (0.61) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6906590 0.86 CHRM1 (0.50) CHRM1CHRM4CHRM2CHRM5CHRM3
SCHEMBL6912940 0.84 CHRM1 (0.47) CHRM1CHRM4CHRM2CHRM5CHRM3
Oxalic Acid SCHEMBL7617331 0.81 CHRM1 (0.54) CHRM1CHRM4
Oxalic Acid SCHEMBL7612022 0.81 CHRM1 (0.46) CHRM1CHRM4CHRM2CHRM5CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734259-B1 Use of piperidine compounds in the treatment of schizophrenia NOVO NORDISK AS (DK) 2002-06-12 EP claimed
US-5753683-A SCHIZOPHRENIA NOVO NORDISK A/S (DK) 1998-05-19 US claimed
US-5744489-A ADMINISTERING CERTAIN 1,2,5-THIADIAZOLE AND 1,2,5-OXADIAZOLE COMPOUNDS GREENWOOD BEVERLEY (US) 1998-04-28 US claimed
EP-0788357-A1 A METHOD OF TREATING URINARY BLADDER DYSFUNCTIONS NOVO NORDISK A/S (DK) 1997-08-13 EP claimed
EP-0734259-A1 ANTIPSYCHOTIC METHOD NOVO NORDISK A/S (DK) 1996-10-02 EP claimed
WO-1996014066-A1 A METHOD OF TREATING URINARY BLADDER DYSFUNCTIONS NOVO NORDISK A/S (DK) 1996-05-17 WO claimed
EP-0544714-B1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1995-11-22 EP claimed
WO-1995005174-A1 ANTIPSYCHOTIC METHOD NOVO NORDISK A/S (DK) 1995-02-23 WO claimed
US-20040023951-A1 Combination therapy for treatment of psychoses ELI LILLY AND COMPANY 2004-02-05 US disclosed
EP-0709094-B1 Tetrahydropyridine oxadiazole or thiadiazole compound for treating anxiety LILLY CO ELI (US) 2000-04-05 EP disclosed
US-5708014-A SUBSTITUTED TETRAHYDROPYRIDINYL-1,2,5-OXADIAZOLES OR THIADIAZOLES ELI LILLY AND COMPANY (US) 1998-01-13 US disclosed
EP-0709094-A2 Method for treating anxiety using a tetrahydropyridine oxadiazole or thiadiazole compound ELI LILLY AND COMPANY (US) 1996-05-01 EP 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 (1 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-20040023951-A1 Combination therapy for treatment of psychoses CHRM5, CHRM4, CHRM2 CHRM1 8/4885CHRM4 2/4885CHRM2 3/4885

“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.