SCHEMBL17078505

SCHEMBL17078505

COC(=O)c1ccc(CN2[C@H](C)CN(C(=O)Nc3ccc4c(c3)CCO4)C[C@@H]2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ GRIN2B Q13224 5/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ P2RX3 P56373 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.39
▸ MAPK14 Q16539 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
SCHEMBL20420951 0.91 FAAH (0.50) FAAHLMNANAMPTSMN1; SMN2P2RX3
SCHEMBL20432716 0.89 HDAC1 (0.47) FAAHLMNANAMPTSMN1; SMN2MAPK1
SCHEMBL17079066 0.89 HDAC1 (0.47) FAAHLMNANAMPTSMN1; SMN2MAPK1
SCHEMBL17078543 0.80 GRIN2B (0.52) FAAHLMNAGRIN2BNAMPTSMN1; SMN2
SCHEMBL17078965 0.79 GRIN2B (0.57) FAAHGRIN2BNAMPTSMN1; SMN2MAPK1
SCHEMBL17078679 0.79 SMN1; SMN2 (0.52) FAAHGRIN2BNAMPTSMN1; SMN2MAPK1
SCHEMBL17078511 0.79 HDAC1 (0.52) FAAHGRIN2BSMN1; SMN2NPSR1RAB9A
SCHEMBL17078548 0.78 GRIN2B (0.56) FAAHLMNAGRIN2BSMN1; SMN2MAPK1
SCHEMBL17078536 0.77 EPHX2 (0.49) FAAHGRIN2B
SCHEMBL17078525 0.76 GRIN2B (0.43) FAAHGRIN2BNAMPTSMN1; SMN2MAPK1

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 FAAH 2733/4885LMNA 832/4885GRIN2B 284/4885
US-20170096405-A1 NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC6, HDAC1, HDAC5 FAAH 1887/4885LMNA 3727/4885GRIN2B 363/4885

“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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