SCHEMBL5080962

SCHEMBL5080962

O=C(O)C1CCN1C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
BBOX1 O75936 1/20 0.37
ASPH Q12797 1/20 0.37
KDM8 Q8N371 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
HIF1AN Q9NWT6 1/20 0.37
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.34
ACE P12821 4/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL15194023 0.98 POLB (0.37) POLBGAABBOX1ASPHKDM8
SCHEMBL992855 0.98 POLB (0.35) POLBGAABBOX1ASPHKDM8
SCHEMBL15193691 0.96 POLB (0.34) POLBGAABBOX1ASPHKDM8
SCHEMBL1954186 0.89 CNR1 (0.42) ACECNR1CNR2
SCHEMBL11098876 0.89 CNR2 (0.40) POLBGAAALDH1A1ACECNR1
SCHEMBL15665698 0.89 CNR1 (0.42) ACECNR1CNR2
SCHEMBL4336856 0.89 CNR1 (0.42) ACECNR1CNR2
SCHEMBL29957169 0.89 ACE (0.32) ACE
SCHEMBL3732799 0.88 CNR2 (0.36) POLBGAAALDH1A1TSHRACE
SCHEMBL23426301 0.88 ALDH1A1 (0.40) POLBGAABBOX1ASPHKDM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183239-B2 Substituted piperazines and piperidines as modulators of the neuropeptide Y2 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-05-22 US claimed
EP-1948629-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-30 EP claimed
WO-2007053436-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO claimed
US-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US claimed
US-20170075218-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-03-16 US disclosed
US-20170075218-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-03-16 US disclosed
US-8183239-B2 Substituted piperazines and piperidines as modulators of the neuropeptide Y2 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-05-22 US disclosed
US-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
US-4163743-A Beta-lactams, their production from azetidine carboxylic acids, intermediates thereto and derivatives thereof RESEARCH CORPORATION (US) 1979-08-07 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-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY5R, NPY4R POLB 4272/4885GAA 4435/4885BBOX1 3143/4885

“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.