SCHEMBL377373

SCHEMBL377373

CC(C)(C)C1CC(Nc2ccccc2F)CCN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
EPHX2 P34913 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 3/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 2/20 0.37
SSTR4 P31391 1/20 0.36
RIPK1 Q13546 1/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
POLB P06746 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
SCHEMBL3212143 0.86 KMT2A (0.46) GAAEPHX2KMT2AMEN1ALDH1A1
SCHEMBL377814 0.81 MLNR (0.40) EPHX2KMT2AALDH1A1L3MBTL1RAB9A
SCHEMBL377996 0.79 KDM4E (0.50) KDM4EGAAEPHX2KMT2AMEN1
SCHEMBL28908025 0.78 HDAC1 (0.47)
SCHEMBL3851155 0.78 KDM4E (0.59) KDM4EGAAEPHX2KMT2AMEN1
SCHEMBL4107974 0.77 KDM4E (0.39) KDM4EGAAEPHX2SSTR4SMYD3
SCHEMBL5969927 0.77 LMNA (0.43) EPHX2KMT2AMEN1ALDH1A1L3MBTL1
SCHEMBL23724093 0.76 CCR5 (0.40) KDM4EEPHX2KMT2AMEN1ALDH1A1
SCHEMBL2338125 0.76 POLB (0.49) EPHX2KMT2AALDH1A1L3MBTL1RAB9A
SCHEMBL5969527 0.75 DCUN1D1 (0.43) KDM4EGAAEPHX2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029538-B1 BENZYLPIPERAZINE DERIVATIVES AS MOTILIN RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2012-01-25 EP disclosed
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 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-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS SCD, SCD5, ACACA KDM4E 1815/4885GAA 493/4885EPHX2 1750/4885

“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.