SCHEMBL6913063

SCHEMBL6913063

CCCCOc1nonc1O[C@@H]1CCC[C@H]1N(C)C

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
OPRM1 P35372 1/20 0.37
CHRM1 P11229 8/20 0.37
ABCB1 P08183 2/20 0.36
CHRM2 P08172 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
SCHEMBL6913059 1.00 CA12 (0.40) CA12CA1CA2CA9OPRM1
SCHEMBL8316307 0.90 CA12 (0.40) CA12CA1CA2CA9CHRM1
SCHEMBL8317844 0.82 CHRM1 (0.56) CHRM1
SCHEMBL8317848 0.82 CHRM1 (0.56) CHRM1
SCHEMBL8318281 0.67 CHRM1 (0.58) CHRM1CHRM2
SCHEMBL8318277 0.67 CHRM1 (0.58) CHRM1CHRM2
SCHEMBL8317237 0.65 OPRM1 (0.34) OPRM1
SCHEMBL20073128 0.63 OPRM1 (0.45) OPRM1
SCHEMBL8505039 0.63 CHRM1 (0.58) CHRM1
SCHEMBL8505043 0.63 CHRM1 (0.58) CHRM1

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 17 patents. 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
WO-1997020819-A1 COMPOSITION FOR TREATING PAIN ELI LILLY AND COMPANY (US) 1997-06-12 WO claimed
US-20040023951-A1 Combination therapy for treatment of psychoses ELI LILLY AND COMPANY 2004-02-05 US disclosed
US-6194416-B1 CENTRAL NERVOUS SYSTEM DISORDERS; ALZHEIMER'S DISEASE ELI LILLY AND COMPANY 2001-02-27 US disclosed
US-6187776-B1 AZACYCLIC-SUBSTITUTED PYRIDINE DERIVATIVES; ALZHEIMER*S DISEASE, SCHIZOPHRENIA, GASTROINTESTINAL DISORDERS; COGNITION ACTIVATORS ELI LILLY AND COMPANY 2001-02-13 US disclosed
EP-0788489-A4 HETEROCYCLIC COMPOUNDS AND THEIR USE LILLY CO ELI (US) 2000-11-15 EP disclosed
US-6071900-A 2-AZABICYCLOOXYPYRIDAZINES TO TREAT DISEASES IN THE CENTRAL NERVOUS SYSTEM CAUSED BY MALFUNCTIONING OF THE MUSCARINIC CHOLINERGIC SYSTEM; ALZHEIMER'S DISEASE; ANALGESICS; GI AND SLEEPING DISORDERS; GLAUCOMA, PSYCHOSIS, ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 2000-06-06 US disclosed
US-6030966-A FOR TREATING ALZEHIMER'S DISEASE ELI LILLY AND COMPANY (US) 2000-02-29 US disclosed
US-5998404-A NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1999-12-07 US disclosed
US-5998434-A Composition for treating pain ELI LILLY AND COMPANY (US) 1999-12-07 US disclosed
US-5763457-A ADMINISTERING TO THE PATIENT SUFFERING FROM ANXIETY DISORDER AN OXADIZOLE COMPOUND ELI LILLY AND COMPANY (US) 1998-06-09 US disclosed
EP-0788489-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE ELI LILLY AND COMPANY (US) 1997-08-13 EP disclosed
EP-0773021-A1 Use of azacyclic or azabicyclic oxadiazole compounds for treating anxiety ELI LILLY AND COMPANY (US) 1997-05-14 EP disclosed
US-5605908-A TREATING DISEASES OF CENTRAL NERVOUS SYSTEM CAUSED BY MALFUNCTIONING OF MUSCARINIC CHOLINERGIC SYSTEM ELI LILLY AND COMPANY (US) 1997-02-25 US disclosed
WO-1996012711-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE ELI LILLY AND COMPANY (US) 1996-05-02 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 (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 CA12 2230/4885CA1 2998/4885CA2 2881/4885

“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.