SCHEMBL3035973

SCHEMBL3035973

CC(C)CC(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.76
ATM Q13315 1/20 0.76
CYP2C9 P11712 2/20 0.71
ALOX15 P16050 2/20 0.71
TSHR P16473 2/20 0.71
CYP2C19 P33261 2/20 0.71
CYP2D6 P10635 1/20 0.71
PKM P14618 1/20 0.71
L3MBTL1 Q9Y468 3/20 0.69
ALDH1A1 P00352 6/20 0.68
KDM4E B2RXH2 6/20 0.68
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
MAPK1 P28482 2/20 0.62
TP53 P04637 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
LMNA P02545 2/20 0.62
TDP1 Q9NUW8 3/20 0.61
HTT P42858 1/20 0.61
HSD17B10 Q99714 1/20 0.60

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
SCHEMBL3021175 0.88 POLB (0.60) POLBATMCYP2C9ALOX15TSHR
SCHEMBL25323974 0.83 POLB (1.00) POLBATMCYP2C9ALOX15TSHR
SCHEMBL2841801 0.83 ALDH1A1 (0.68) POLBTSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL18282496 0.82 ALDH1A1 (0.56) POLBATMCYP2C9ALOX15TSHR
SCHEMBL3198447 0.81 ALDH1A1 (0.74) TSHRL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL6681439 0.81 ALDH1A1 (0.83) ATMALOX15ALDH1A1KDM4EMEN1
SCHEMBL5064043 0.81 ALDH1A1 (0.71) POLBTSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL1394606 0.80 ALDH1A1 (0.72) TSHRL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL1393987 0.80 ALDH1A1 (0.72) TSHRL3MBTL1ALDH1A1KDM4EMEN1
SCHEMBL1393985 0.80 ALDH1A1 (0.72) TSHRL3MBTL1ALDH1A1KDM4EMEN1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP 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-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 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-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 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-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 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 (8 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 POLB 4163/4885ATM 4296/4885CYP2C9 835/4885
US-20100234391-A1 N-SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 POLB 4163/4885ATM 4296/4885CYP2C9 835/4885
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 POLB 4226/4885ATM 3174/4885CYP2C9 239/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 POLB 4281/4885ATM 2039/4885CYP2C9 2517/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 POLB 4346/4885ATM 2400/4885CYP2C9 2466/4885
US-20130072497-A1 N- SUBSTITUTED PIPERAZINES PRXL2A, CNPY2, CYP4X1 POLB 4163/4885ATM 4296/4885CYP2C9 835/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 POLB 3851/4885ATM 4463/4885CYP2C9 2142/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 POLB 2808/4885ATM 2673/4885CYP2C9 180/4885

“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.