SCHEMBL4026439

SCHEMBL4026439

CN(C)C(=O)CN1C[C@H](C(=O)c2ccccc2)C(c2ccccc2O)[C@@H](C(=O)c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TERT O14746 7/20 0.40
RORC P51449 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 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
SCHEMBL4026443 1.00 TERT (0.40) TERTRORCNPSR1KMT2AMEN1
SCHEMBL4776345 0.90 KIF11 (0.39)
SCHEMBL4776354 0.90 KIF11 (0.39)
SCHEMBL4025031 0.88 LMNA (0.37) RORCNPSR1KMT2AMEN1KCNH2
SCHEMBL4025032 0.88 LMNA (0.37) RORCNPSR1KMT2AMEN1KCNH2
SCHEMBL4021027 0.87 KMT2A (0.44) RORCKMT2AMEN1ALDH1A1
SCHEMBL4028137 0.87 RORC (0.37) RORCKMT2AMEN1KCNH2
SCHEMBL4021029 0.87 KMT2A (0.44) RORCKMT2AMEN1ALDH1A1
SCHEMBL4019220 0.87 RORC (0.39) RORCNPSR1KMT2AMEN1KCNH2
SCHEMBL4019216 0.87 RORC (0.39) RORCNPSR1KMT2AMEN1KCNH2

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 4 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-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 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 TERT 86/4885RORC 183/4885NPSR1 3414/4885

“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.