SCHEMBL2961160

SCHEMBL2961160

CC(C(=O)N1CCN(Cc2cc3c(cc2Cl)OCO3)CC1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 3/20 0.54
CNR1 P21554 1/20 0.50
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
OPRM1 P35372 3/20 0.46
DRD3 P35462 3/20 0.46
OPRD1 P41143 3/20 0.46
OPRK1 P41145 3/20 0.46
OPRL1 P41146 3/20 0.46
CACNA1F O60840 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
DRD2 P14416 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL13150189 0.81 MEN1 (0.49) MEN1KMT2AOPRM1DRD3OPRD1
SCHEMBL2962615 0.81 MEN1 (0.49) MEN1KMT2AALDH1A1OPRM1DRD3
SCHEMBL27712884 0.78 TSHR (0.57) EPHX2MEN1KMT2AALDH1A1CNR1
SCHEMBL12461374 0.78 EPHX2 (0.56) EPHX2MEN1KMT2AALDH1A1CNR1
SCHEMBL13150209 0.76 MEN1 (0.53) MEN1KMT2AALDH1A1OPRM1DRD3
SCHEMBL22808475 0.74 CNR1 (0.61) MEN1KMT2ACNR1DRD3CHRM1
SCHEMBL7131843 0.74 CNR1 (0.61) MEN1KMT2ACNR1DRD3CHRM1
SCHEMBL1714588 0.73 PTGDR2 (0.67)
SCHEMBL13149628 0.72 KMT2A (0.57) MEN1KMT2AALDH1A1OPRM1DRD3
SCHEMBL13150855 0.72 HTR7 (0.55) MEN1KMT2AALDH1A1OPRM1DRD3

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 15 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-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-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-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-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
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 EPHX2 1518/4885MEN1 3085/4885KMT2A 558/4885
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 EPHX2 1518/4885MEN1 3085/4885KMT2A 558/4885
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 EPHX2 1518/4885MEN1 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.