SCHEMBL6911863

SCHEMBL6911863

CCCCOc1nsnc1OC[C@@H]1CCCN1C

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.55
CHRNA4 P43681 5/20 0.55
CHRM1 P11229 4/20 0.52
CHRNB1 P11230 2/20 0.50
CHRNB4 P30926 2/20 0.50
CHRNA3 P32297 2/20 0.50
CHRNB3 Q05901 2/20 0.50

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
SCHEMBL6916080 0.73 CHRM1 (0.63) CHRM1
SCHEMBL6915041 0.73 CHRM1 (0.54) CHRNB2CHRNA4CHRM1CHRNB4CHRNA3
SCHEMBL6915037 0.73 CHRM1 (0.54) CHRNB2CHRNA4CHRM1CHRNB4CHRNA3
SCHEMBL11447417 0.73 SLC2A1 (0.55) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL13354110 0.71 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL905213 0.71 CHRNB2 (1.00) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL11457025 0.70 SLC2A1 (0.53)
SCHEMBL8528121 0.70 CHRNB2 (0.93) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL8438742 0.70 CHRNB2 (0.98) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL7676217 0.69 CHRNB2 (0.91) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998434-A Composition for treating pain ELI LILLY AND COMPANY (US) 1999-12-07 US claimed
EP-0874828-A4 COMPOSITION FOR TREATING PAIN LILLY CO ELI (US) 1999-09-01 EP claimed
EP-0874828-A1 COMPOSITION FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1998-11-04 EP claimed
US-5665745-A 1,2,5-THIADIAZOLE DERIVATIVES FOR TREATING DISEASES OF CENTRAL NERVOUS SYSTEM ELI LILLY AND COMPANY (US) 1997-09-09 US claimed
WO-1997020819-A1 COMPOSITION FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1997-06-12 WO claimed
EP-0774256-A1 Use of azacyclic or azabicyclic thiadiazole compounds for treating anxiety ELI LILLY AND COMPANY (US) 1997-05-21 EP claimed
EP-0709381-A1 Heterocyclic compounds and their preparation and use ELI LILLY AND COMPANY (US) 1996-05-01 EP claimed
US-20040023951-A1 Combination therapy for treatment of psychoses ELI LILLY AND COMPANY 2004-02-05 US disclosed
US-5998434-A Composition for treating pain ELI LILLY AND COMPANY (US) 1999-12-07 US disclosed
EP-0874828-A4 COMPOSITION FOR TREATING PAIN LILLY CO ELI (US) 1999-09-01 EP disclosed
US-5929247-A METHODS OF SYNTHESIZING 1,2,5-THIADIAZOLE COMPOUNDS SUCH AS 3-PROPYLTHIO-4-HYDROXY-1,2,5-THIADIAZOLE, USEFUL IN TREATING DISEASES IN THE CENTRAL NERVOUS SYSTEM CAUSED BY MUSCARINIC CHOLINERGIC SYSTEM MALFUNCTIONING ELI LILLY AND COMPANY (US) 1999-07-27 US disclosed
US-5852037-A Method for treating anxiety ELI LILLY AND COMPANY (US) 1998-12-22 US disclosed
EP-0874828-A1 COMPOSITION FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1998-11-04 EP disclosed
US-5672709-A INTERMEDIATES FOR DRUGS USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1997-09-30 US disclosed
US-5665745-A 1,2,5-THIADIAZOLE DERIVATIVES FOR TREATING DISEASES OF CENTRAL NERVOUS SYSTEM ELI LILLY AND COMPANY (US) 1997-09-09 US disclosed
US-5646289-A REACTING A 3-CHLORO-1,2,5-THIADIAZOLE WITH ALKALI METAL BIS(TRIALKYL OR ARYLSILYL)AMIDE; DECHLORINATION; TREATING NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1997-07-08 US disclosed
WO-1997020819-A1 COMPOSITION FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1997-06-12 WO disclosed
WO-1997017962-A1 METHOD FOR TREATING ANXIETY ELI LILLY AND COMPANY (US) 1997-05-22 WO disclosed
EP-0774256-A1 Use of azacyclic or azabicyclic thiadiazole compounds for treating anxiety ELI LILLY AND COMPANY (US) 1997-05-21 EP disclosed
EP-0709381-A1 Heterocyclic compounds and their preparation and use 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 CHRNB2 16/4885CHRNA4 7/4885CHRM1 8/4885

“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.