SCHEMBL12782575

SCHEMBL12782575

CN1CCN(CCOc2ccc(-c3ccc(CC(=O)NCc4ccccn4)cc3)c(F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.51
HTR7 P34969 3/20 0.51
POLB P06746 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ROCK1 Q13464 3/20 0.45
SRC P12931 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
TUBB4A P04350 5/20 0.44
TUBB P07437 5/20 0.44
TUBA3C P0DPH7 5/20 0.44
TUBA1B P68363 5/20 0.44
TUBA4A P68366 5/20 0.44
TUBB4B P68371 5/20 0.44
TUBB3 Q13509 5/20 0.44
TUBB2A Q13885 5/20 0.44
TUBB8 Q3ZCM7 5/20 0.44

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
SCHEMBL254087 0.91 ROCK1 (0.44) HTR1AHTR7ROCK1SRCTUBB4A
SCHEMBL12782554 0.90 HTR1A (0.44) HTR1AHTR7POLBKMT2AMEN1
SCHEMBL254565 0.89 HTR1A (0.45) HTR1AHTR7POLBKMT2AMEN1
SCHEMBL254431 0.89 ROCK1 (0.46) HTR1AHTR7ROCK1SRCTUBB4A
SCHEMBL255202 0.89 TUBB4A (0.51) HTR1AHTR7SRCTUBB4ATUBB
SCHEMBL254411 0.88 ROCK1 (0.44) HTR1AHTR7ROCK1SRCTUBB4A
SCHEMBL12782570 0.88 HTR1A (0.47) HTR1AHTR7POLBKMT2AMEN1
SCHEMBL12782574 0.87 ROCK1 (0.43) HTR1AHTR7ROCK1SRCTUBB4A
SCHEMBL12782559 0.85 HTR1A (0.48) HTR1AHTR7POLBKMT2AMEN1
SCHEMBL253924 0.85 SRC (0.57) HTR1AHTR7ROCK1SRCTUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065705-A1 Compositions and Methods of Treating Cell Proliferation Disorders SAGARD HEALTHCARE ROYALTY PARTNERS, LP, AS ADMINISTRATIVE AGENT (CA) 2011-03-17 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-20110065705-A1 Compositions and Methods of Treating Cell Proliferation Disorders MKI67, CCNC, CCNA1 HTR1A 3859/4885HTR7 4007/4885POLB 692/4885

“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.