SCHEMBL2445174

SCHEMBL2445174

c1ccc2nc(CNCCCN3CCN(CCCNCc4ccc5ccccc5n4)CC3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
HTR1A P08908 4/20 0.46
SLC6A4 P31645 3/20 0.45
DRD3 P35462 4/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
FAAH O00519 1/20 0.44
DRD2 P14416 3/20 0.44
SLC2A1 P11166 3/20 0.43
ADRA1A P35348 2/20 0.43
KCNH2 Q12809 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 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
SCHEMBL5595285 0.91 ALDH1A1 (0.53) MEN1MAPTKMT2AHTR1ASLC6A4
SCHEMBL10614795 0.83 HDAC1 (0.48) KDM1AMAOAMAOB
SCHEMBL30388584 0.81 KDM1A (0.50) KDM1AMAOAMAOB
SCHEMBL10616742 0.80 KDM1A (0.49) KDM1AMAOAMAOB
SCHEMBL3269912 0.79 GPBAR1 (0.48) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL30022211 0.79 GPBAR1 (0.48) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL1038626 0.79 HDAC1 (0.48) MEN1KMT2AKDM1AMAOAMAOB
SCHEMBL4725706 0.79 MC4R (0.51) MAPTKDM1AMAOAMAOB
SCHEMBL24943587 0.78 HDAC1 (0.55) KDM1AMAOAMAOB
SCHEMBL11935004 0.77 MC4R (0.48) KDM1AMAOAMAOB

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
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
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 MEN1 3397/4885MAPT 22/4885KMT2A 665/4885

“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.