SCHEMBL2448672

SCHEMBL2448672

NCCCN1CCN(CCCNc2nc3ccccc3[nH]2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.66
▸ TSHR P16473 2/20 0.62
▸ BCHE P06276 2/20 0.58
▸ TRPC3 Q13507 1/20 0.58
▸ TRPC4 Q9UBN4 1/20 0.58
▸ TRPC5 Q9UL62 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PARP1 P09874 1/20 0.46
▸ KCNH2 Q12809 1/20 0.45
▸ SLC2A1 P11166 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ LTA4H P09960 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL2445746 0.94 BACE1 (0.73) BACE1TSHRBCHETRPC3TRPC4
SCHEMBL2446553 0.90 BACE1 (0.69) BACE1TSHRBCHETRPC3TRPC4
SCHEMBL12332532 0.88 BACE1 (0.69) BACE1TSHRBCHETRPC3TRPC4
SCHEMBL6034415 0.85 BCHE (0.72) BACE1TSHRBCHETRPC3TRPC4
SCHEMBL17749563 0.85 TSHR (0.86) BACE1TSHRBCHETRPC3TRPC4
SCHEMBL4640893 0.84 BCHE (0.70) BACE1TSHRBCHETRPC3TRPC4
SCHEMBL1775576 0.84 TSHR (0.64) BACE1TSHRBCHETRPC3TRPC4
SCHEMBL6439777 0.83 BCHE (0.68) BACE1TSHRBCHETRPC3TRPC4
SCHEMBL2444228 0.82 BACE1 (0.72) BACE1TSHRBCHETRPC3TRPC4
SCHEMBL8567589 0.80 TSHR (0.78) BACE1TSHRBCHETRPC3TRPC4

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 BACE1 31/4885TSHR 4289/4885BCHE 375/4885

“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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