SCHEMBL13150673

SCHEMBL13150673

N#Cc1nccnc1N1CCN(Cc2ccc(C(=O)c3ccccc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.52
CASP4 P49662 1/20 0.52
CASP5 P51878 1/20 0.52
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PRKAA2 P54646 1/20 0.44
HTR2C P28335 2/20 0.44
HTR2A P28223 1/20 0.44
HTR2B P41595 1/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR1A P08908 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
HSD11B1 P28845 1/20 0.44
ABCC1 P33527 2/20 0.44

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
SCHEMBL13150499 0.80 NPC1 (0.61) ALDH1A1SMN1; SMN2ABCC1KDM4ETDP1
SCHEMBL13150713 0.78 KMT2A (0.53) ALDH1A1POLBHDAC4HDAC1TDP1
SCHEMBL13150531 0.78 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2CYP2D6CYP2C9CYP2C19
SCHEMBL13150555 0.75 ABCC1 (0.55) HTR2AHTR1AABCC1
SCHEMBL13150515 0.74 FAAH (0.47) ALDH1A1HTR1AABCC1POLBTDP1
SCHEMBL13150728 0.74 MAPT (0.42) ALDH1A1HTR2AHSD11B1ABCC1POLB
SCHEMBL13150703 0.74 HTR7 (0.56) HTR2AKDM4EMAPT
SCHEMBL3276896 0.72 CASP1 (0.64) CASP1CASP4CASP5ALDH1A1SMN1; SMN2
SCHEMBL13150492 0.72 MAPT (0.49) HTR2AHTR1APOLBMAPT
SCHEMBL3282966 0.71 CASP1 (0.62) CASP1CASP4CASP5ALDH1A1SMN1; SMN2

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 CASP1 194/4885CASP4 421/4885CASP5 49/4885
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 CASP1 194/4885CASP4 421/4885CASP5 49/4885
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 CASP1 194/4885CASP4 421/4885CASP5 49/4885

“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.