SCHEMBL13150855

SCHEMBL13150855

Clc1cc2c(cc1CN1CCN(Cc3ccccc3-c3ccccc3)CC1)OCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 9/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
OPRM1 P35372 4/20 0.50
OPRD1 P41143 4/20 0.50
OPRK1 P41145 4/20 0.50
OPRL1 P41146 3/20 0.50
SIGMAR1 Q99720 3/20 0.50
DRD3 P35462 2/20 0.50
CACNA1F O60840 1/20 0.50
CACNA1D Q01668 1/20 0.50
CACNA1S Q13698 1/20 0.50
CACNA1C Q13936 1/20 0.50
GAA P10253 2/20 0.48
CHRM2 P08172 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47

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
SCHEMBL28230641 0.80 HTR7 (0.80) HTR7SIGMAR1DRD3DRD4
SCHEMBL13149628 0.79 KMT2A (0.57) HTR7MEN1KMT2AOPRM1OPRD1
SCHEMBL13150247 0.77 KMT2A (0.66) MEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL4754254 0.77 HTR7 (0.71) HTR7MEN1KMT2ASIGMAR1DRD3
SCHEMBL14939360 0.77 NPSR1 (0.63) HTR7MEN1KMT2AOPRM1OPRD1
SCHEMBL2962615 0.76 MEN1 (0.49) HTR7MEN1KMT2AOPRM1OPRD1
SCHEMBL13150189 0.76 MEN1 (0.49) HTR7MEN1KMT2AOPRM1OPRD1
SCHEMBL2952419 0.76 MEN1 (0.49) HTR7MEN1KMT2AOPRM1OPRD1
SCHEMBL15938032 0.75 HTR7 (0.72) HTR7SIGMAR1DRD3DRD4ALDH1A1
SCHEMBL13926092 0.73 LMNA (0.46) HTR7MEN1KMT2AOPRM1OPRD1

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 HTR7 1813/4885MEN1 3085/4885KMT2A 558/4885
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 HTR7 1813/4885MEN1 3085/4885KMT2A 558/4885
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 HTR7 1813/4885MEN1 3085/4885KMT2A 558/4885

“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.