SCHEMBL6993533

SCHEMBL6993533

O=C(O)N1CCC(CCc2nsc3ccccc23)CC1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.67
HTR1A P08908 15/20 0.48
DRD2 P14416 15/20 0.48
HTR2A P28223 15/20 0.48
DRD3 P35462 12/20 0.48
CMA1 P23946 1/20 0.41

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
SCHEMBL222028 0.81 ACHE (1.00) ACHE
Maleic Acid SCHEMBL6987772 0.80 ACHE (0.84) ACHE
Fumaric Acid SCHEMBL6987773 0.80 ACHE (0.84) ACHE
SCHEMBL28814086 0.80 ACHE (0.80) ACHE
Maleic Acid SCHEMBL27339116 0.80 ACHE (0.69) ACHEHTR1ADRD2HTR2ADRD3
Maleic Acid SCHEMBL27339115 0.80 ACHE (0.69) ACHEHTR1ADRD2HTR2ADRD3
SCHEMBL1581512 0.76 ACHE (0.67) ACHEDRD2HTR2ADRD3
SCHEMBL6989946 0.76 ACHE (0.67) ACHE
SCHEMBL8670678 0.74 MAOA (0.55)
SCHEMBL1581739 0.72 SLC18A2 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646115-B1 HETEROCYCLIC-CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2003-01-22 EP disclosed
US-6498255-B2 CHOLINESTERASE INHIBITORS; COGNITION ACTIVATORS; ALZHEIMER'S DISEASE; E.G., 3-(2-(1-(PHENYLMETHYL)-4-PIPERIDINYL)ETHYL)-1,2-BENZISOXAZOLE PFIZER INC. 2002-12-24 US disclosed
US-20020028834-A1 Heterocyclic-cyclic amine derivatives VILLALOBOS ANABELLA (US) 2002-03-07 US disclosed
US-6326382-B1 CHOLINESTERASE INHIBITORS; USEFUL IN ENHANCING MEMORY IN PATIENTS SUFFERING FROM DEMENTIA AND ALZHEIMER'S DISEASE EISAI CO., LTD (JP) 2001-12-04 US disclosed
CN-1044242-C Heterocyclic-cyclic amine derivatives PFIZER (US) 1999-07-21 CN disclosed
US-5538984-A Methods of using piperidyl-benzisoxazole and benisothiazole derivatives as cholinesterase inhibitors PFIZER INC. (US) 1996-07-23 US disclosed
EP-0646115-A1 HETEROCYCLIC-CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 1995-04-05 EP disclosed
WO-1992017475-A1 HETEROCYCLIC-CYCLIC AMINE DERIVATIVES PFIZER INC. (US) 1992-10-15 WO disclosed
CN-1065267-A HETEROCYCLIC-CYCLIC AMINE DERIVATIVES PFIZER (US) 1992-10-14 CN 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-20020028834-A1 Heterocyclic-cyclic amine derivatives BCHE, ACHE, CHRM1 ACHE 2/4885HTR1A 160/4885DRD2 294/4885

“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.