SCHEMBL4021730

SCHEMBL4021730

Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2)CN(C2CC(C)(C)NC(C)(C)C2)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
OPRM1 P35372 6/20 0.33
OPRK1 P41145 5/20 0.33
OPRD1 P41143 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MGLL Q99685 1/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HDAC4 P56524 1/20 0.31
FAAH O00519 1/20 0.31
SLC2A1 P11166 1/20 0.31
SLC2A4 P14672 1/20 0.31
MMP1 P03956 1/20 0.30
MMP13 P45452 1/20 0.30
ADAM17 P78536 1/20 0.30

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
SCHEMBL4022030 0.89 MEN1 (0.34) OPRM1OPRK1OPRD1MEN1KMT2A
SCHEMBL4022565 0.87 L3MBTL1 (0.30) L3MBTL1
SCHEMBL4749224 0.86 OPRM1 (0.35) OPRM1MEN1KMT2AMGLLSLC2A1
SCHEMBL4749242 0.86 OPRM1 (0.35) OPRM1MEN1KMT2AMGLLSLC2A1
SCHEMBL4751351 0.85 MEN1 (0.40) OPRM1MEN1KMT2AMGLLSLC2A1
SCHEMBL4752869 0.85 MEN1 (0.40) OPRM1MEN1KMT2AMGLLSLC2A1
SCHEMBL4022812 0.84 HTR6 (0.35) MGLL
SCHEMBL4021646 0.83 MC4R (0.36) OPRM1OPRD1MEN1KMT2AMGLL
SCHEMBL4021116 0.83 SLC6A2 (0.35) OPRM1MEN1KMT2AMGLL
SCHEMBL4025296 0.82 MGLL (0.35) MEN1KMT2AMGLLSLC2A1SLC2A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 US disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 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 (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-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 L3MBTL1 3696/4885OPRM1 4219/4885OPRK1 3191/4885

“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.