SCHEMBL17078707

SCHEMBL17078707

COC(=O)c1ccc(CN2[C@H](C)CN(C(=O)NCc3cccc(F)c3)C[C@@H]2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.48
▸ P2RY12 Q9H244 1/20 0.45
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ CACNA1G O43497 1/20 0.40
▸ CACNA1H O95180 1/20 0.40
▸ CACNA1I Q9P0X4 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ MRGPRX4 Q96LA9 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
SCHEMBL20421186 0.90 DPP4 (0.50) DPP4P2RY12HDAC1HDAC6MAPT
SCHEMBL17078837 0.88 LMNA (0.49) HDAC1MAPTLMNANAMPTSMN1; SMN2
SCHEMBL17078523 0.88 HDAC1 (0.57) DPP4P2RY12HDAC1HDAC6MAPT
SCHEMBL17078692 0.88 CA1 (0.47) MAPTSMN1; SMN2CACNA1GCACNA1HCACNA1I
SCHEMBL17078842 0.85 HDAC1 (0.60) HDAC1HDAC6MAPTLMNATP53
SCHEMBL17078605 0.84 CACNA1G (0.46) DPP4HDAC1HDAC6MAPTLMNA
SCHEMBL17078735 0.79 HDAC1 (0.58) HDAC1HDAC6MAPTLMNANAMPT
SCHEMBL20420901 0.79 PKM (0.52) MAPTTP53NAMPTSMN1; SMN2CACNA1G
SCHEMBL20420898 0.78 CACNA1G (0.48) HDAC1HDAC6SMN1; SMN2CACNA1GCACNA1H
SCHEMBL17078511 0.76 HDAC1 (0.52) HDAC1HDAC6MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10287255-B2 Compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2019-05-14 — — US disclosed
EP-3116859-B1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2018-08-01 — — EP disclosed
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-04-06 — — US disclosed
EP-3116859-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Chong Kun Dang Pharmaceutical Corp. (KR) 2017-01-18 — — EP disclosed
WO-2015137750-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-09-17 — — 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-10287255-B2 Compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions comprising the same HDAC6, HDAC1, HDAC11 DPP4 3137/4885P2RY12 4545/4885HDAC1 2/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 DPP4 949/4885P2RY12 4615/4885HDAC1 2/4885

“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.

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