SCHEMBL2445116

SCHEMBL2445116

CC(C)(C)OC(=O)NCCCN1CCN(CCCNc2nc3ccccc3[nH]2)CC1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 2/20 0.74
▸ BACE1 P56817 1/20 0.57
▸ DRD2 P14416 7/20 0.55
▸ TSHR P16473 1/20 0.51
▸ SIGMAR1 Q99720 2/20 0.50
▸ TRPC3 Q13507 1/20 0.49
▸ TRPC4 Q9UBN4 1/20 0.49
▸ TRPC5 Q9UL62 1/20 0.49
▸ KCNH2 Q12809 1/20 0.48
▸ BRD4 O60885 3/20 0.48

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
SCHEMBL4640990 0.90 BCHE (0.87) BCHETSHRTRPC3TRPC4TRPC5
SCHEMBL2445746 0.83 BACE1 (0.73) BCHEBACE1TSHRTRPC3TRPC4
SCHEMBL12332532 0.80 BACE1 (0.69) BCHEBACE1TSHRTRPC3TRPC4
SCHEMBL2446553 0.80 BACE1 (0.69) BCHEBACE1TSHRTRPC3TRPC4
SCHEMBL2448672 0.78 BACE1 (0.66) BCHEBACE1TSHRTRPC3TRPC4
SCHEMBL13609711 0.76 BCHE (0.69) BCHE
SCHEMBL8329416 0.76 BCHE (0.66) BCHE
SCHEMBL8254760 0.75 DRD2 (0.64) DRD2SIGMAR1
SCHEMBL17749563 0.75 TSHR (0.86) BCHEBACE1TSHRTRPC3TRPC4
SCHEMBL2444228 0.75 BACE1 (0.72) BCHEBACE1TSHRTRPC3TRPC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9044478-B2 Use of 1,4-bis (3-aminoalkyl) piperazine derivatives in the treatment of neurodegenerative diseases INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2015-06-02 — — US disclosed
EP-1809288-B1 USE OF 1,4-BIS (3-AMINOALKYL) PIPERAZINE DERIVATIVES IN THE TREATMENT OF NEURODEGENERATIVE DISEASES INST NAT SANTE RECH MED (FR) 2011-09-14 — — EP disclosed
US-20090149464-A1 Use of 1,4-bis (3-aminoalkyl) piperazine derivatives in the treatment of neurodegenerative diseases UNIVERSITE DU DROIT ET DE LA SANTE- LILLE II (FR) 2009-06-11 — — US disclosed
EP-1809288-A1 USE OF 1,4-BIS (3-AMINOALKYL) PIPERAZINE DERIVATIVES IN THE TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2007-07-25 — — EP disclosed
WO-2006051489-A1 USE OF 1,4-BIS (3-AMINOALKYL) PIPERAZINE DERIVATIVES IN THE TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2006-05-18 — — 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-20090149464-A1 Use of 1,4-bis (3-aminoalkyl) piperazine derivatives in the treatment of neurodegenerative diseases PSEN1, PSEN2, SNCA BCHE 375/4885BACE1 31/4885DRD2 658/4885

“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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