SCHEMBL13149259

SCHEMBL13149259

O=C(Cc1ccccc1)N1CCN(c2ncccn2)CC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.66
HTR7 P34969 1/20 0.64
ALDH1A1 P00352 2/20 0.63
ROCK2 O75116 1/20 0.62
ROCK1 Q13464 1/20 0.62
ME2 P23368 2/20 0.61
ME1 P48163 2/20 0.61
ME3 Q16798 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.60
HTT P42858 1/20 0.59
GAA P10253 2/20 0.58
USP2 O75604 1/20 0.58
HSD11B1 P28845 1/20 0.57
SLC6A7 Q99884 2/20 0.57
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
GBA1 P04062 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL3579256 0.92 ROCK2 (0.67) KDM4EHTR7ALDH1A1ROCK2ROCK1
SCHEMBL13149297 0.87 POLB (0.68) KDM4EALDH1A1ROCK2ROCK1ME2
SCHEMBL23682791 0.85 KDM4E (0.81) KDM4EHTR7ALDH1A1ME2ME1
SCHEMBL13149796 0.85 ALDH1A1 (0.76) KDM4EHTR7ALDH1A1ME2ME1
SCHEMBL10722408 0.83 HSD11B1 (0.77) KDM4EALDH1A1ME2ME1ME3
SCHEMBL3967794 0.83 HSD11B1 (0.77) KDM4EALDH1A1ME2ME1ME3
SCHEMBL6706289 0.81 ME2 (0.82) HTR7ALDH1A1ME2ME1ME3
SCHEMBL7365515 0.80 KDM4E (0.71) KDM4EHTR7ALDH1A1SMN1; SMN2HTT
SCHEMBL5267307 0.79 HSD11B1 (0.70) KDM4EALDH1A1ME2ME1ME3
SCHEMBL13149394 0.78 ALDH1A1 (0.77) KDM4EALDH1A1SMN1; SMN2HTTGAA

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
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2013-03-21 US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 US disclosed
US-8338430-B2 N-substituted piperazines DOW AGROSCIENCES, LLC. (US) 2012-12-25 US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 US disclosed
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES DOW AGROSCIENCES LLC (US) 2010-09-16 US disclosed
US-7754724-B2 N-substituted piperazines DOW AGROSCIENCES LLC (US) 2010-07-13 US disclosed
US-7754724-B2 N-substituted piperazines DOW AGROSCIENCES LLC (US) 2010-07-13 US disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 US disclosed
US-20070004750-A1 N-substituted piperazines CORTEVA AGRISCIENCE LLC 2007-01-04 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 (3 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-20070004750-A1 N-substituted piperazines PRXL2A, CNPY2, CYP4X1 KDM4E 280/4885HTR7 1813/4885ALDH1A1 641/4885
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 KDM4E 280/4885HTR7 1813/4885ALDH1A1 641/4885
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 KDM4E 280/4885HTR7 1813/4885ALDH1A1 641/4885

“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.