SCHEMBL2446291

SCHEMBL2446291

c1ccc2c(c1)Cc1cc(CNCCCN3CCN(CCCNCc4ccc5c(c4)Cc4ccccc4-5)CC3)ccc1-2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.51
DRD3 P35462 5/20 0.51
DRD4 P21917 2/20 0.51
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FAAH O00519 1/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL5595232 0.92 CYP3A4 (0.47) DRD2DRD3DRD4NPC1TP53
SCHEMBL9080133 0.77 ALDH1A1 (0.50) DRD2DRD3NPC1TP53TSHR
SCHEMBL2472733 0.76 MC4R (0.63)
SCHEMBL13973037 0.76 TSHR (0.52) DRD2DRD3NPC1TP53TSHR
SCHEMBL26099817 0.75 CA12 (0.55) DRD2DRD3TSHRKDM4ECYP2D6
SCHEMBL2444736 0.75 DPP7 (0.69) CYP3A4CYP2D6CYP2C19
SCHEMBL3181062 0.74 CYP2C19 (0.55) CYP3A4CYP2D6CYP2C19
SCHEMBL18177890 0.73 TSHR (0.72) NPC1TP53TSHRMAPK1RAB9A
SCHEMBL2443705 0.73 DPP7 (0.57) SMN1; SMN2CYP3A4CYP2D6CYP2C19
SCHEMBL1700604 0.72 TSHR (0.55) NPC1TP53TSHRMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
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 claimed
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

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 DRD2 658/4885DRD3 1186/4885DRD4 690/4885

“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.