SCHEMBL4019756

SCHEMBL4019756

Cc1c(F)cccc1C1[C@@H](C(=O)c2ccc(O)cc2)CN(CC(=O)N(C)C)C[C@@H]1C(=O)c1ccc(O)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 14/20 0.40
GRIN1 Q05586 9/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MAPK1 P28482 1/20 0.35
EED O75530 2/20 0.35

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
SCHEMBL4019761 1.00 GRIN2B (0.40) GRIN2BGRIN1MEN1KMT2AESR1
SCHEMBL4019987 0.92 KMT2A (0.39) GRIN2BMEN1KMT2AMAPK1EED
SCHEMBL4019982 0.92 KMT2A (0.39) GRIN2BMEN1KMT2AMAPK1EED
SCHEMBL4024477 0.90 ABL1 (0.37) GRIN2BGRIN1MEN1KMT2AEED
SCHEMBL4026851 0.90 KMT2A (0.44) GRIN2BGRIN1MEN1KMT2A
SCHEMBL4026855 0.90 KMT2A (0.44) GRIN2BGRIN1MEN1KMT2A
SCHEMBL4024473 0.90 ABL1 (0.37) GRIN2BGRIN1MEN1KMT2AEED
SCHEMBL4751835 0.89 GRIN2B (0.41) GRIN2BGRIN1MEN1KMT2AMAPK1
SCHEMBL4019577 0.89 EED (0.37) MEN1KMT2AMAPK1EED
SCHEMBL4019575 0.89 EED (0.37) MEN1KMT2AMAPK1EED

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US claimed
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 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-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 GRIN2B 4170/4885GRIN1 4435/4885MEN1 77/4885

“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.