SCHEMBL6986232

SCHEMBL6986232

O=C(O)N1CCC(COc2noc3ccccc23)CC1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.68
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
SSTR4 P31391 1/20 0.42
HTR4 Q13639 8/20 0.41
ACACB O00763 1/20 0.41
KCNH2 Q12809 2/20 0.40
RBP4 P02753 1/20 0.40

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
SCHEMBL5128263 0.86 ACHE (0.51) ACHEHTR4ACACB
SCHEMBL9411203 0.86 ACHE (0.66) ACHEFAAH
SCHEMBL6987668 0.81 ACHE (1.00) ACHE
Maleic Acid SCHEMBL9411410 0.81 ACHE (0.84) ACHE
Fumaric Acid SCHEMBL6989960 0.81 ACHE (0.84) ACHE
Fumaric Acid SCHEMBL6989955 0.81 ACHE (0.84) ACHE
SCHEMBL5117873 0.80 HTR4 (0.66) ACHEHTR4
SCHEMBL5116886 0.80 HTR4 (0.63) ACHEHTR4
SCHEMBL5120450 0.80 HTR4 (0.53) ACHEHTR4
SCHEMBL5115786 0.78 HTR4 (0.68) ACHEHTR4

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 8 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
US-5750542-A Benzisoxazole and benzisothizole derivatives as cholinesterase inhibitors PFIZER (US) 1998-05-12 US 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

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 2/4885FAAH 681/4885MGLL 1214/4885

“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.