SCHEMBL13149359

SCHEMBL13149359

O=C(c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1

nearest known ligand 0.92

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 14/20 0.92
L3MBTL1 Q9Y468 1/20 0.74
SLC6A3 Q01959 1/20 0.72
ALDH1A1 P00352 1/20 0.72
TSHR P16473 1/20 0.72
HSD17B10 Q99714 1/20 0.69
KDM4E B2RXH2 1/20 0.68
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
LMNA P02545 1/20 0.64
GAA P10253 1/20 0.64
MAPK1 P28482 1/20 0.64

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
SCHEMBL3583123 0.96 SLC6A7 (1.00) SLC6A7L3MBTL1SLC6A3ALDH1A1TSHR
SCHEMBL3585051 0.86 SLC6A7 (0.83) SLC6A7L3MBTL1SLC6A3ALDH1A1TSHR
SCHEMBL3583707 0.86 SLC6A7 (0.77) SLC6A7L3MBTL1SLC6A3ALDH1A1TSHR
SCHEMBL95079 0.85 L3MBTL1 (0.74) SLC6A7L3MBTL1SLC6A3ALDH1A1TSHR
SCHEMBL220133 0.85 L3MBTL1 (0.74) SLC6A7L3MBTL1SLC6A3ALDH1A1TSHR
SCHEMBL2703433 0.85 SMN1; SMN2 (0.80) SLC6A7L3MBTL1SLC6A3ALDH1A1TSHR
SCHEMBL3586157 0.84 SLC6A7 (1.00) SLC6A7SLC6A3ALDH1A1TSHR
SCHEMBL3578650 0.84 SLC6A7 (0.67) SLC6A7L3MBTL1SLC6A3ALDH1A1TSHR
SCHEMBL3582408 0.84 SLC6A7 (0.74) SLC6A7L3MBTL1SLC6A3ALDH1A1TSHR
SCHEMBL18753713 0.84 SLC6A7 (0.66) SLC6A7L3MBTL1SLC6A3ALDH1A1TSHR

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 SLC6A7 299/4885L3MBTL1 2862/4885SLC6A3 3350/4885
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 SLC6A7 299/4885L3MBTL1 2862/4885SLC6A3 3350/4885
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 SLC6A7 299/4885L3MBTL1 2862/4885SLC6A3 3350/4885

“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.