SCHEMBL17078896

SCHEMBL17078896

COC(=O)c1ccc(CN2[C@H](C)CN(C(=O)Nc3ccccc3C)C[C@@H]2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 4/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ P2RX7 Q99572 1/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ SIRT1 Q96EB6 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ CCR3 P51677 1/20 0.41

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
SCHEMBL20421118 0.89 SMN1; SMN2 (0.47) GRIN2BNPC1MAPTRAB9AL3MBTL1
SCHEMBL17078869 0.88 GRIN2B (0.54) GRIN2BL3MBTL1SMN1; SMN2MEN1ALDH1A1
SCHEMBL17078569 0.87 HDAC1 (0.53) L3MBTL1SMN1; SMN2GAALMNAHTT
SCHEMBL17078965 0.86 GRIN2B (0.57) GRIN2BNPC1MAPTRAB9AL3MBTL1
SCHEMBL17078581 0.83 MAPT (0.51) GRIN2BNPC1MAPTRAB9AL3MBTL1
SCHEMBL17078679 0.81 SMN1; SMN2 (0.52) GRIN2BMAPTRAB9AL3MBTL1SMN1; SMN2
SCHEMBL17078692 0.81 CA1 (0.47) MAPTSMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL17078801 0.80 OPRD1 (0.48) MEN1ALDH1A1KMT2ASIRT1
SCHEMBL17078543 0.80 GRIN2B (0.52) GRIN2BMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL17078511 0.79 HDAC1 (0.52) GRIN2BNPC1MAPTRAB9ASMN1; 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 GRIN2B 284/4885NPC1 1220/4885MAPT 369/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 GRIN2B 363/4885NPC1 1123/4885MAPT 126/4885

“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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