SCHEMBL4297578

SCHEMBL4297578

CC(C)(C)OC(=O)N1CCN(Cc2ccc(N)cc2)C(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.50
TP53 P04637 1/20 0.49
HDAC1 Q13547 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
VEGFA P15692 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
DPP4 P27487 3/20 0.41
CYP3A4 P08684 1/20 0.41
KDM1A O60341 5/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40

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
SCHEMBL2313905 0.91 TP53 (0.50) NR1H2TP53HDAC1HDAC6VEGFA
SCHEMBL22532823 0.89 TP53 (0.50) NR1H2TP53HDAC1HDAC6VEGFA
SCHEMBL14103789 0.89 VEGFA (0.53) NR1H2TP53HDAC1HDAC6VEGFA
SCHEMBL20129614 0.89 TP53 (0.50) NR1H2TP53HDAC1HDAC6VEGFA
SCHEMBL5283535 0.88 TP53 (0.49) NR1H2TP53HDAC1HDAC6VEGFA
SCHEMBL1876106 0.88 TP53 (0.49) NR1H2TP53HDAC1HDAC6VEGFA
SCHEMBL4158417 0.88 DPP4 (0.49) TP53HDAC1HDAC6VEGFAEGLN1
SCHEMBL1049753 0.88 HDAC1 (0.50) TP53HDAC1HDAC6DPP4KMT2A
SCHEMBL1081669 0.87 HDAC1 (0.50) NR1H2TP53HDAC1HDAC6VEGFA
SCHEMBL2262766 0.87 CYP3A4 (0.52) TP53HDAC1HDAC6DPP4CYP3A4

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-20230133132-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-05-04 US disclosed
US-8420657-B2 Pyrrolo[2,3-D]pyrimidines and use thereof as tyrosine kinase inhibitors NOVARTIS AG (CH) 2013-04-16 US disclosed
US-20090203688-A1 HETEROCYCLIC COMPOUNDS NOVARTIS AG 2009-08-13 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 (2 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-20230133132-A1 NAMPT MODULATORS NAMPT, MC4R, SIRT1 NR1H2 509/4885TP53 4738/4885HDAC1 52/4885
US-20090203688-A1 HETEROCYCLIC COMPOUNDS ABL1, JAK2, JAK1 NR1H2 3187/4885TP53 344/4885HDAC1 1109/4885

“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.