SCHEMBL13150495

SCHEMBL13150495

c1ccc(COc2ccc(CN3CCN(CCc4ccccn4)CC3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.67
RAB9A P51151 3/20 0.67
HTT P42858 2/20 0.67
MAPT P10636 1/20 0.67
TP53 P04637 2/20 0.64
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
HRH3 Q9Y5N1 6/20 0.59
FAAH O00519 1/20 0.54
LMNA P02545 2/20 0.53
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
LTA4H P09960 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
SCHEMBL13149660 0.86 HRH3 (0.78) NPC1RAB9AHTTMAPTTP53
SCHEMBL1143656 0.83 NPC1 (0.85) NPC1RAB9AHTTMAPTTP53
SCHEMBL7807819 0.82 HRH3 (0.82) NPC1RAB9AHTTMAPTTP53
SCHEMBL13887156 0.81 FFAR1 (0.60) NPC1RAB9AHTTMAPTTP53
SCHEMBL13149648 0.79 NPC1 (0.74) NPC1RAB9AHTTMAPTTP53
SCHEMBL7811609 0.79 NPC1 (0.78) NPC1RAB9AHTTMAPTTP53
SCHEMBL13150709 0.79 PKM (0.60) KMT2AHRH3FAAH
SCHEMBL16026529 0.78 THRB (0.61) TP53HRH3
SCHEMBL29922137 0.78 THRB (0.61) TP53HRH3
SCHEMBL31010237 0.78 HRH3 (0.66) NPC1RAB9AHTTMAPTHRH3

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 NPC1 1809/4885RAB9A 1175/4885HTT 3877/4885
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 NPC1 1809/4885RAB9A 1175/4885HTT 3877/4885
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 NPC1 1809/4885RAB9A 1175/4885HTT 3877/4885

“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.