SCHEMBL16808358

SCHEMBL16808358

COC[C@H]1CCCN1c1ccc(NC(=O)c2cccc(C(=O)N(C)CCN3CCOCC3)c2)c(-c2cc(C(=O)NCc3cccc(CF)c3)ccn2)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.37
SLC34A2 O95436 1/20 0.37
KDM1A O60341 3/20 0.36
HDAC1 Q13547 3/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
ROCK1 Q13464 2/20 0.35
MAP4K1 Q92918 1/20 0.34
EGFR P00533 2/20 0.34
SMYD2 Q9NRG4 1/20 0.34
SYK P43405 1/20 0.33
GSK3A P49840 1/20 0.33
ALK Q9UM73 1/20 0.33
CARM1 Q86X55 1/20 0.33
DRD4 P21917 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
AURKA O14965 1/20 0.32
RPS6KB1 P23443 1/20 0.32

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
SCHEMBL16365755 1.00 ROCK2 (0.37) ROCK2SLC34A2KDM1AHDAC1ADORA2A
SCHEMBL19579945 0.93 SLC34A2 (0.45) ROCK2SLC34A2KDM1AHDAC1ROCK1
SCHEMBL15432664 0.93 SLC34A2 (0.45) ROCK2SLC34A2KDM1AHDAC1ROCK1
SCHEMBL15432672 0.93 SLC34A2 (0.45) ROCK2SLC34A2KDM1AHDAC1ROCK1
SCHEMBL16365456 0.90 SLC34A2 (0.36) ROCK2SLC34A2KDM1AHDAC1ROCK1
SCHEMBL16365455 0.90 SLC34A2 (0.37) ROCK2SLC34A2KDM1AHDAC1ROCK1
SCHEMBL15444421 0.85 KDM1A (0.42) ROCK2SLC34A2KDM1AHDAC1ROCK1
SCHEMBL15444445 0.85 KDM1A (0.38) ROCK2SLC34A2KDM1AHDAC1ROCK1
SCHEMBL16808343 0.85 KDM1A (0.39) ROCK2SLC34A2KDM1AHDAC1ROCK1
SCHEMBL15444468 0.85 KDM1A (0.42) ROCK2SLC34A2KDM1AHDAC1ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9301951-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-04-05 US disclosed
US-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 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 (1 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-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 ROCK2 2489/4885SLC34A2 1/4885KDM1A 4426/4885

“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.