SCHEMBL13150409

SCHEMBL13150409

O=C(OCc1ccccc1)N1CCN(Cc2nnc(C3CC3)s2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CYP2C19 P33261 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GRIN2B Q13224 9/20 0.46
FNTA P49354 2/20 0.45
FNTB P49356 2/20 0.45
PGGT1B P53609 2/20 0.45
CYP2D6 P10635 4/20 0.44
CYP2C9 P11712 4/20 0.44
HTT P42858 1/20 0.43
CYP3A4 P08684 3/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
CHRM4 P08173 1/20 0.42

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
SCHEMBL31169287 0.79 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL23201370 0.79 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL4814264 0.74 MEN1 (0.76) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL379160 0.74 MEN1 (0.76) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL7393652 0.74 MEN1 (0.76) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL3970912 0.74 MEN1 (0.76) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL27035855 0.73 GRIN2B (0.66) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL13150170 0.73 KDM4E (0.60) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL12245090 0.73 JAK2 (0.52) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL26983216 0.73 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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 SMN1; SMN2 2322/4885NPC1 1809/4885RAB9A 1175/4885
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 SMN1; SMN2 2322/4885NPC1 1809/4885RAB9A 1175/4885
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 SMN1; SMN2 2322/4885NPC1 1809/4885RAB9A 1175/4885

“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.