SCHEMBL5080949

SCHEMBL5080949

CCC(CC)C(=O)Nc1ccc(Br)cc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.61
ALDH1A1 P00352 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 5/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 3/20 0.53
POLB P06746 1/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 2/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
PKM P14618 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
ALOX12 P18054 1/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50

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
SCHEMBL410861 0.83 KDM4E (0.72) FPR2ALDH1A1L3MBTL1LMNANPC1
SCHEMBL19987418 0.82 ALDH1A1 (0.56) ALDH1A1LMNANPC1RAB9ASMN1; SMN2
SCHEMBL27915487 0.80 LMNA (0.59) FPR2ALDH1A1L3MBTL1LMNANPC1
SCHEMBL3472841 0.77 HDAC1 (0.63) ALDH1A1L3MBTL1LMNANPC1RAB9A
SCHEMBL29809375 0.77 HDAC1 (0.63) ALDH1A1L3MBTL1LMNANPC1RAB9A
SCHEMBL6004945 0.77 SMN1; SMN2 (0.63) FPR2ALDH1A1L3MBTL1LMNANPC1
SCHEMBL14948919 0.76 FPR2 (1.00) FPR2ALDH1A1L3MBTL1LMNANPC1
SCHEMBL14937931 0.76 FPR2 (1.00) FPR2ALDH1A1L3MBTL1LMNANPC1
SCHEMBL22506221 0.76 FPR2 (1.00) FPR2ALDH1A1L3MBTL1LMNANPC1
SCHEMBL19566147 0.76 FPR2 (0.82) FPR2ALDH1A1L3MBTL1LMNANPC1

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 4 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 disclosed
EP-1948629-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-30 EP disclosed
WO-2007053436-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO 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

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 FPR2 529/4885ALDH1A1 4060/4885L3MBTL1 1619/4885

“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.