SCHEMBL623942

SCHEMBL623942

Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
LMNA P02545 2/20 0.51
HDAC4 P56524 1/20 0.50
CNR2 P34972 1/20 0.48
CRBN Q96SW2 1/20 0.47
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
EPHX2 P34913 2/20 0.46
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD11B1 P28845 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL1512449 0.86 MEN1 (0.56) KMT2AMEN1LMNAHDAC4CNR2
SCHEMBL2365945 0.86 MEN1 (0.56) KMT2AMEN1LMNAHDAC4CNR2
SCHEMBL2197329 0.84 MEN1 (0.61) KMT2AMEN1LMNAHDAC4CNR2
SCHEMBL375639 0.84 KMT2A (0.57) KMT2AMEN1LMNAHDAC4CNR2
SCHEMBL28677764 0.84 MEN1 (0.54) KMT2AMEN1LMNAHDAC4CNR2
SCHEMBL12217609 0.83 KMT2A (0.59) KMT2AMEN1LMNAHDAC4CNR2
SCHEMBL34473978 0.83 MEN1 (0.53) KMT2AMEN1LMNAHDAC4CNR2
SCHEMBL20502533 0.83 MEN1 (0.56) KMT2AMEN1HDAC4CNR2CRBN
SCHEMBL3093877 0.82 MEN1 (0.68) KMT2AMEN1HDAC4ABL1RIN1
SCHEMBL20668648 0.82 KMT2A (0.64) KMT2AMEN1LMNAHDAC4CNR2

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-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US disclosed
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 US disclosed
WO-2012020567-A1 ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-02-16 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-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers SCN5A, SCN2A, CACNA1G KMT2A 1431/4885MEN1 4301/4885LMNA 2282/4885

“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.