SCHEMBL212309

SCHEMBL212309

CN1CCN(CC[C@@H](COC(=O)Nc2cc3ccccc3cn2)N(C)C(=O)NCc2ccccc2Cl)CC1=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 3/20 0.34
CTSK P43235 1/20 0.33
TACR1 P25103 4/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
ABL1 P00519 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DRD3 P35462 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAPK8 P45983 1/20 0.31

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
SCHEMBL212790 0.91 BDKRB1 (0.39) BDKRB1CTSKTACR1ALDH1A1NPC1
SCHEMBL210201 0.90 ADCY10 (0.35) BDKRB1CTSKTACR1ALDH1A1NPC1
SCHEMBL4344068 0.89 TACR1 (0.35) BDKRB1CTSKTACR1ALDH1A1NPC1
SCHEMBL213694 0.89 PHGDH (0.34) BDKRB1CTSKTACR1ALDH1A1NPC1
SCHEMBL212789 0.88 SMN1; SMN2 (0.42) BDKRB1ALDH1A1MAPTMEN1KMT2A
SCHEMBL213637 0.88 BDKRB1 (0.35) BDKRB1CTSKTACR1ALDH1A1MAPK1
SCHEMBL210462 0.88 ALDH1A1 (0.44) CTSKALDH1A1NPC1MAPTMEN1
SCHEMBL2724091 0.87 GSK3B (0.34) BDKRB1
SCHEMBL2723081 0.84 NPC1 (0.39) CTSKALDH1A1NPC1MAPK1ABL1
SCHEMBL27810797 0.84 NPC1 (0.39) CTSKALDH1A1NPC1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US claimed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US claimed
US-8895582-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-11-25 US disclosed
US-8759374-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2014-06-24 US disclosed
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2013-02-28 US disclosed
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS QIAN XIANGPING (US) 2012-05-31 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-8088793-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2012-01-03 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 US disclosed
US-20090275537-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2009-11-05 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-20090275537-A1 Certain chemical entities, compositions, and methods MYLK, MYH2, MYH10 BDKRB1 2260/4885CTSK 1455/4885TACR1 693/4885
US-20120135964-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 BDKRB1 2260/4885CTSK 1455/4885TACR1 693/4885
US-20130053348-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS MYLK, MYH2, MYH10 BDKRB1 2260/4885CTSK 1455/4885TACR1 693/4885

“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.