SCHEMBL6780299

SCHEMBL6780299

CCCSc1nsnc1Cl

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ CHRM1 P11229 3/20 0.39
▸ HTT P42858 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL6781817 0.88 CHRM1 (0.42) ALDH1A1CHRM1
SCHEMBL10927675 0.85 SIGMAR1 (0.38) SIGMAR1ALDH1A1CHRM1HTTHSD17B10
SCHEMBL7892273 0.83 — —
SCHEMBL8444907 0.64 CHRM1 (0.42) ALDH1A1CHRM1HTTLMNA
SCHEMBL12312225 0.64 HSD17B10 (0.39) SIGMAR1ALDH1A1CHRM1HTTHSD17B10
SCHEMBL8441881 0.64 CHRM1 (0.42) ALDH1A1CHRM1HTTHPGDKMT2A
SCHEMBL8445611 0.64 CHRM1 (0.42) ALDH1A1CHRM1
SCHEMBL11354287 0.62 ALDH1A1 (0.44) ALDH1A1LMNAHPGDKMT2A
SCHEMBL10968344 0.61 KMT2A (0.36) ALDH1A1HTTHSD17B10LMNAHPGD
SCHEMBL20668745 0.61 ALDH1A1 (0.42) ALDH1A1LMNAHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709381-A1 Heterocyclic compounds and their preparation and use ELI LILLY AND COMPANY (US) 1996-05-01 — — EP claimed
US-6720342-B2 AZABICYCLIC COMPOUNDS USED IN TREATING A DISEASE IN THE CENTRAL NERVOUS SYSTEM CAUSED BY MALFUNCTIONING OF THE MUSCARINIC CHOLINERGIC SYSTEM. NOVO NORDISK A/S (DK) 2004-04-13 — — US disclosed
EP-1189902-B1 7-OXO-2-AZABICYCLO[2.2.1]HEPTANES AS SELECTIVE MUSCARINIC RECEPTOR ANTAGONIST LILLY CO ELI (US) 2003-08-27 — — EP disclosed
US-6559171-B1 Muscarinic receptor modulators 7-oxo-2-azabicyclo(2.2.1)heptanes of formula (I) which are useful for the treatment of various diseases and conditions, for example, Alzheimer's disease, glaucoma, psychosis, ELI LILLY AND COMPANY 2003-05-06 — — US disclosed
US-20020115697-A1 Heterocyclic compounds and their preparation and use JEPPESEN LONE (DK) 2002-08-22 — — US disclosed
EP-0900218-B1 HETEROCYCLIC COMPOUNDS LILLY CO ELI (US) 2002-07-24 — — EP disclosed
EP-0900204-A4 HETEROCYCLIC COMPOUNDS LILLY CO ELI (US) 2001-03-21 — — EP disclosed
US-6187798-B1 (+-)EXO-3-(3-(4-CHLOROPHENYL)PROPYNYLOXY-4-(1 -AZABICYCLO(2.2.1)HEPTYL-3-OXY)-1,2,5-THIADIAZOLE, FOR EXAMPLE; FOR MODULATING A MUSCARINIC RECEPTOR; TREATING ALZHEIMER'S DISEASE OR PSYCHOSIS ELI LILLY AND COMPANY 2001-02-13 — — US disclosed
US-6124312-A ACTIVE DRUG FOR TREATING ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 2000-09-26 — — US disclosed
US-6117883-A Heterocyclic compounds ELI LILLY AND COMPANY (US) 2000-09-12 — — US disclosed
US-5672709-A INTERMEDIATES FOR DRUGS USEFUL IN TREATING CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1997-09-30 — — US disclosed
WO-1997034899-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1997-09-25 — — WO 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-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
WO-1996038430-A1 PROCESS FOR MAKING HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 1996-12-05 — — WO disclosed
WO-1996038431-A1 PROCESS FOR MAKING HETEROCYCLIC COMPOUNDS ELI LILLY AND COMPANY (US) 1996-12-05 — — WO disclosed
EP-0745601-A1 Process for preparing 1,2,5-thiadiazole derivatives ELI LILLY AND COMPANY (US) 1996-12-04 — — 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-20020115697-A1 Heterocyclic compounds and their preparation and use CHRM5, ACHE, CHRM2 SIGMAR1 2101/4885ALDH1A1 1468/4885CHRM1 5/4885

“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.

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