SCHEMBL4629631

SCHEMBL4629631

NC(=O)N1CCC([C]=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
GAA P10253 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CPN1 P15169 1/20 0.30
CPB2 Q96IY4 1/20 0.30
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL4630910 0.87 PDE4B (0.32) GAA
SCHEMBL4755082 0.83 GAA (0.31) GAA
SCHEMBL2703981 0.80 F2 (0.44) MAOAGAACPN1CPB2HTR1A
SCHEMBL1700820 0.80 GAA (0.35) KDM1AMAOAMAOBGAAALDH1A1
SCHEMBL57711 0.77 CYP1A2 (0.44)
SCHEMBL2702633 0.77 CPN1 (0.47) ALDH1A1CPN1CPB2
SCHEMBL4743328 0.75 KDM1A (0.37) KDM1AMAOAMAOBGAAALDH1A1
SCHEMBL2566319 0.75 KDM1A (0.37) KDM1AMAOAMAOBGAAALDH1A1
SCHEMBL4630538 0.75 ALDH1A1 (0.34) ALDH1A1CPN1CPB2
SCHEMBL4754538 0.74 ALDH1A1 (0.38) ALDH1A1CPN1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US claimed
WO-2008133344-A2 PIPERIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 WO disclosed
US-20080275085-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-06 US disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
US-20040067999-A1 Carbazole derivatives and their use as neuropeptide y5 receptor ligands ASTRAZENECA AB (SE) 2004-04-08 US disclosed
EP-1358157-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS AstraZeneca AB (SE) 2003-11-05 EP disclosed
WO-2002051806-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2002-07-04 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 (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-20040067999-A1 Carbazole derivatives and their use as neuropeptide y5 receptor ligands NPY5R, NPY1R, NPY2R KDM1A 2134/4885MAOA 886/4885MAOB 639/4885
US-20080275085-A1 Piperidine derivative and use thereof TACR2, TACR1, PRLHR KDM1A 624/4885MAOA 4253/4885MAOB 3696/4885

“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.