SCHEMBL16211388

SCHEMBL16211388

COC(=O)c1ccc(CN(C(=O)N2CC[C@@H](F)C2)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 4/20 0.41
DPP4 P27487 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
LSS P48449 1/20 0.41
CNR1 P21554 1/20 0.40
MCHR1 Q99705 2/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
DPP8 Q6V1X1 1/20 0.39
TEAD1 P28347 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BCL2A1 Q16548 1/20 0.39
MLYCD O95822 1/20 0.39
GCGR P47871 1/20 0.39
GIPR P48546 1/20 0.39
CETP P11597 1/20 0.39

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
SCHEMBL16211373 1.00 SLC6A5 (0.41) SLC6A5DPP4DPP7LSSCNR1
SCHEMBL16211371 1.00 SLC6A5 (0.41) SLC6A5DPP4DPP7LSSCNR1
SCHEMBL17618046 0.89 CHRM2 (0.42) CNR1KDM4ESMN1; SMN2
SCHEMBL25979873 0.89 DPP4 (0.43) SLC6A5DPP4DPP7LSSMCHR1
SCHEMBL17618047 0.89 CHRM2 (0.42) CNR1KDM4ESMN1; SMN2
SCHEMBL16211292 0.89 HDAC1 (0.49)
SCHEMBL16211290 0.89 HDAC1 (0.49)
SCHEMBL16211858 0.89 HDAC1 (0.49)
SCHEMBL16211265 0.88 HDAC6 (0.48) SLC6A5DPP4DPP7LSSTEAD1
SCHEMBL16211267 0.88 HDAC6 (0.48) SLC6A5DPP4DPP7LSSTEAD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9878986-B2 Compounds for selective histone deacetylase inhibitors, and pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-01-30 US disclosed
US-9878986-B2 Compounds for selective histone deacetylase inhibitors, and pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-01-30 US disclosed
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-06-01 US disclosed
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-06-01 US disclosed
US-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2016-03-24 US disclosed
US-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2016-03-24 US disclosed
EP-2991982-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2016-03-09 EP disclosed
WO-2014178606-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2014-11-06 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 (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-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 SLC6A5 4743/4885DPP4 1396/4885DPP7 1391/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 SLC6A5 4743/4885DPP4 1396/4885DPP7 1391/4885

“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.