SCHEMBL2444736

SCHEMBL2444736

c1ccc(CNCCCN2CCN(CCCNCc3ccccc3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.69
MAOA P21397 1/20 0.62
CHRM2 P08172 1/20 0.60
SIGMAR1 Q99720 4/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 1/20 0.55

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
SCHEMBL7375511 0.91 SIGMAR1 (0.65) DPP7SIGMAR1CYP2D6
SCHEMBL2443705 0.90 DPP7 (0.57) DPP7MAOACHRM2CYP3A4CYP2D6
SCHEMBL7390426 0.90 DPP7 (0.61) DPP7MAOACHRM2SIGMAR1MEN1
Hydrochloric Acid SCHEMBL10606789 0.90 DPP7 (0.76) DPP7MAOACHRM2SIGMAR1CYP3A4
SCHEMBL3704422 0.89 CYP2C19 (0.74) DPP7MAOACHRM2SIGMAR1MEN1
Water SCHEMBL28295097 0.87 CYP2C19 (0.72) DPP7MAOASIGMAR1MEN1KMT2A
SCHEMBL14068495 0.86 CYP2C19 (0.70) DPP7MAOASIGMAR1MEN1KMT2A
SCHEMBL7389621 0.85 DPP7 (0.59) DPP7MAOACHRM2SIGMAR1
SCHEMBL4777009 0.85 CCR3 (0.65) SIGMAR1
SCHEMBL7388349 0.84 MAOA (0.61) DPP7MAOACHRM2SIGMAR1

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 10 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
EP-0934924-B1 NOVEL DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2008-08-13 EP disclosed
US-6576642-B2 Inhibitors of the production of Ig E antibodies, antiallergens KOWA CO., LTD. (JP) 2003-06-10 US disclosed
US-20010039279-A1 Diamide compounds and compositions containing the same KOWA CO., LTD. (JP) 2001-11-08 US disclosed
US-6297283-B1 EXCELLENT INHIBITORY EFFECT ON THE PRODUCTION OF AN IGE ANTIBODY AND ARE HENCE USEFUL AS ANTIALLERGIC AGENTS KOWA CO., LTD. (JP) 2001-10-02 US disclosed
EP-0934924-A1 NOVEL DIAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO. LTD. (JP) 1999-08-11 EP 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 (2 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-20010039279-A1 Diamide compounds and compositions containing the same HRH4, HRH2, HRH1 DPP7 739/4885MAOA 521/4885CHRM2 589/4885
US-20090149464-A1 Use of 1,4-bis (3-aminoalkyl) piperazine derivatives in the treatment of neurodegenerative diseases PSEN1, PSEN2, SNCA DPP7 592/4885MAOA 403/4885CHRM2 2792/4885

“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.