SCHEMBL12791027

SCHEMBL12791027

C=CCC1(O)N(Cc2cc(C)cc(C)c2)C(=O)NC12CCNCC2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
TACR1 P25103 1/20 0.33
OPRM1 P35372 1/20 0.32
GAA P10253 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 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
SCHEMBL12847121 0.86 GAA (0.42) KMT2ATACR1GAA
SCHEMBL12847110 0.81 GAA (0.41) KMT2AGAA
SCHEMBL12790281 0.81 GAA (0.39) KMT2AGAA
SCHEMBL12791022 0.79 KMT2A (0.33) KMT2AOPRM1GAA
SCHEMBL13800155 0.72 GAA (0.39) KMT2AGAA
SCHEMBL12847146 0.66 GAA (0.41) KMT2ATACR1GAA
SCHEMBL12791064 0.66 KMT2A (0.51) KMT2ATACR1OPRM1
SCHEMBL12791101 0.65 KMT2A (0.76) KMT2A
SCHEMBL12791190 0.63 KMT2A (0.34) KMT2ATACR1OPRM1
SCHEMBL12791029 0.62 KMT2A (0.39) KMT2AOPRM1

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-20110065916-A1 METHOD OF MAKING IMIDAZOAZEPINONE COMPOUNDS EISAI R&D MANAGEMENT CO., LTD. (JP) 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-20110065916-A1 METHOD OF MAKING IMIDAZOAZEPINONE COMPOUNDS CYP2C19, CYP3A7, CYP2C18 KMT2A 2911/4885TACR1 872/4885OPRM1 817/4885

“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.