SCHEMBL6915037

SCHEMBL6915037

CCCCOc1nsnc1OC[C@@H]1CCCN1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.54
CHRNB2 P17787 6/20 0.46
CHRNA4 P43681 4/20 0.46
CHRNA3 P32297 6/20 0.46
CHRNB4 P30926 4/20 0.46
CHRNA2 Q15822 3/20 0.46
CHRNA5 P30532 1/20 0.44

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
SCHEMBL6915041 1.00 CHRM1 (0.54) CHRM1CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL6911868 0.78 CHRM1 (0.51) CHRM1
SCHEMBL12996851 0.74 SMN1; SMN2 (0.46) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA2
SCHEMBL8076754 0.74 CHRM1 (0.85) CHRM1CHRNB2CHRNA4
SCHEMBL6911863 0.73 CHRNB2 (0.55) CHRM1CHRNB2CHRNA4CHRNA3CHRNB4
SCHEMBL6917336 0.70 CHRM1 (1.00) CHRM1
SCHEMBL23133816 0.70 SMN1; SMN2 (0.44) CHRNB2CHRNA4
SCHEMBL24805404 0.70 ALDH1A1 (0.46) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA2
SCHEMBL6912925 0.69 CHRM1 (1.00) CHRM1
SCHEMBL13610210 0.68 ALDH1A1 (0.49) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA2

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 CHRM1 8/4885CHRNB2 16/4885CHRNA4 7/4885

“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.