SCHEMBL13150280

SCHEMBL13150280

COc1ccc2c(CN3CCN(CCc4ccccc4C(F)(F)F)CC3)cc(=O)oc2c1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.57
CA9 Q16790 7/20 0.57
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 3/20 0.55
POLB P06746 1/20 0.55
LMNA P02545 1/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP19A1 P11511 1/20 0.51

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
SCHEMBL13150262 0.81 CA12 (0.69) CA12CA9KDM4EALDH1A1POLB
SCHEMBL466909 0.80 CA12 (0.83) CA12CA9KDM4EALDH1A1POLB
SCHEMBL6768925 0.77 CA12 (0.61) CA12CA9KDM4EALDH1A1POLB
SCHEMBL13150267 0.75 CA12 (0.64) CA12CA9KDM4EALDH1A1POLB
Trifluoroacetic Acid SCHEMBL30689498 0.74 KDM4E (0.62) CA12CA9KDM4EALDH1A1POLB
SCHEMBL13149620 0.74 SIGMAR1 (0.65) KDM4EALDH1A1POLBLMNAMEN1
SCHEMBL30689513 0.73 CA12 (0.69) CA12CA9KDM4EALDH1A1POLB
SCHEMBL13150277 0.72 CA12 (0.67) CA12CA9KDM4EALDH1A1POLB
SCHEMBL236736 0.71 AR (0.74) KDM4EALDH1A1GAAHPGDMEN1
SCHEMBL6031499 0.68 CYP2D6 (0.76) CA12CA9KDM4EALDH1A1POLB

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 CA12 4815/4885CA9 4773/4885KDM4E 280/4885
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 CA12 4815/4885CA9 4773/4885KDM4E 280/4885
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 CA12 4815/4885CA9 4773/4885KDM4E 280/4885

“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.