SCHEMBL2472733

SCHEMBL2472733

c1ccc2cc(CNCCCN3CCN(CCCNCc4ccc5ccccc5c4)CC3)ccc2c1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC4R P32245 3/20 0.63
MC5R P33032 3/20 0.63
MC3R P41968 2/20 0.63
SIGMAR1 Q99720 1/20 0.55
MC1R Q01726 1/20 0.55
HRH3 Q9Y5N1 1/20 0.53
PKM P14618 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
NPY1R P25929 1/20 0.51
NPY5R Q15761 1/20 0.51
KMT2A Q03164 1/20 0.50
HTR7 P34969 1/20 0.49

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
SCHEMBL5604920 0.90 SLC6A4 (0.64) MC4RMC5RMC3RSIGMAR1MC1R
SCHEMBL7390289 0.86 MC4R (0.55) MC4RMC5RMC3RSIGMAR1MC1R
SCHEMBL7383850 0.86 MC4R (0.55) MC4RMC5RMC3RSIGMAR1MC1R
SCHEMBL7468937 0.85 SLC6A2 (0.64) SIGMAR1
SCHEMBL2444736 0.80 DPP7 (0.69) SIGMAR1KMT2A
SCHEMBL2443705 0.78 DPP7 (0.57) HRH3HDAC1
SCHEMBL23121278 0.78 MC5R (0.71) MC4RMC5RMC3RMC1RHDAC3
SCHEMBL11922800 0.78 MC5R (0.71) MC4RMC5RMC3RMC1RHRH3
SCHEMBL31617941 0.78 MC5R (0.71) MC4RMC5RMC3RMC1RHDAC3
SCHEMBL30380055 0.78 MC5R (1.00) MC4RMC5RMC3RMC1RHDAC3

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 MC4R 2898/4885MC5R 1871/4885MC3R 3470/4885

“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.