SCHEMBL595122

SCHEMBL595122

CN(C)c1ccc(CNCCO)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA9 Q16790 1/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
PDCD1 Q15116 1/20 0.51
CD274 Q9NZQ7 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 7/20 0.48
MAPK1 P28482 3/20 0.48
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP3A4 P08684 1/20 0.48
KDM4E B2RXH2 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC10 Q969S8 3/20 0.46

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
SCHEMBL2932638 0.88 CA12 (0.58) CA12CA1CA2CA4CA9
SCHEMBL17832854 0.84 CHRM2 (0.57) CA12CA1CA2CA4CA9
SCHEMBL16864136 0.84 ALDH1A1 (0.52) CA12CA1CA2CA4CA9
SCHEMBL2936645 0.84 CA12 (0.55) CA12CA1CA2CA4CA9
SCHEMBL30945860 0.83 ALDH1A1 (0.61) CA12CA1CA2CA4CA9
SCHEMBL1625535 0.83 SMN1; SMN2 (0.64) MEN1KMT2APDCD1CD274SMN1; SMN2
SCHEMBL11531618 0.82 CA12 (0.54) CA12CA1CA2CA4CA9
SCHEMBL29246855 0.81 LMNA (0.60) MEN1KMT2APDCD1CD274SMN1; SMN2
SCHEMBL18575436 0.81 CA1 (0.56) CA12CA1CA2CA4CA9
SCHEMBL23403322 0.80 SLC2A1 (0.53) MEN1KMT2APDCD1CD274SMN1; 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
CN-102325531-B Compounds and methods of use GENENTECH INC 2014-04-02 CN disclosed
EP-2376085-B1 COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-02-26 EP disclosed
EP-2376085-B1 COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-02-26 EP disclosed
US-20140005190-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-01-02 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
CN-102325531-A Compounds and methods of use GENENTECH INC 2012-01-18 CN disclosed
EP-2376085-A1 COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-10-19 EP disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US disclosed
WO-2010080478-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 WO disclosed
WO-2010080478-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 WO 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-20140005190-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX CA12 2017/4885CA1 2798/4885CA2 1854/4885
US-20100190782-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX CA12 2017/4885CA1 2798/4885CA2 1854/4885
US-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX CA12 2017/4885CA1 2798/4885CA2 1854/4885

“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.