SCHEMBL16804331

SCHEMBL16804331

COC(=O)c1ccc(Cn2ccc3c(N4CCC5(CCNC5)CC4)ccnc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 1/20 0.38
CDC42BPB Q9Y5S2 1/20 0.38
HDAC1 Q13547 2/20 0.38
KCNH2 Q12809 1/20 0.38
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
LIMK1 P53667 1/20 0.38
LIMK2 P53671 1/20 0.38
CYP11B2 P19099 1/20 0.37
KDM1A O60341 1/20 0.37
MAOB P27338 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37

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
SCHEMBL16804409 0.94 LMNA (0.42) OPRD1OPRK1LMNANPC1HTT
Hydrochloric Acid SCHEMBL18109080 0.93 LMNA (0.41) OPRD1OPRK1LMNANPC1HTT
SCHEMBL16794894 0.89 MEN1 (0.39) ROCK2ROCK1CDC42BPBHDAC1KCNH2
SCHEMBL16804223 0.87 HTR6 (0.45) OPRD1OPRK1LMNANPC1HTT
Hydrochloric Acid SCHEMBL18108969 0.86 HTR6 (0.44) OPRD1OPRK1LMNANPC1HTT
SCHEMBL18125630 0.83 NPC1 (0.44) OPRD1OPRK1LMNANPC1HTT
SCHEMBL16804212 0.83 OPRD1 (0.39) OPRD1OPRK1LMNANPC1HTT
SCHEMBL18125641 0.83 GHSR (0.47) LMNAHDAC1
SCHEMBL18108938 0.82 CHKA (0.47) OPRD1OPRK1LMNANPC1HTT
SCHEMBL18108964 0.82 HDAC1 (0.43) OPRD1OPRK1HDAC1CYP11B2NAMPT

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
EP-3080125-B1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2018-10-10 EP disclosed
US-9650379-B2 Azaindole derivatives as selective histone deacetylase (HDAC) inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-05-16 US disclosed
US-9650379-B2 Azaindole derivatives as selective histone deacetylase (HDAC) inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-05-16 US disclosed
US-9650379-B2 Azaindole derivatives as selective histone deacetylase (HDAC) inhibitors and pharmaceutical compositions comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-05-16 US disclosed
US-20160289230-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-10-06 US disclosed
US-20160289230-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-10-06 US disclosed
US-20160289230-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2016-10-06 US disclosed
WO-2015087151-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2015-06-18 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 (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-20160289230-A1 NOVEL AZAINDOLE DERIVATIVES AS SELECTIVE HISTONE DEACETYLASE (HDAC) INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME HDAC5, HDAC1, HDAC2 OPRD1 3803/4885OPRK1 3878/4885LMNA 2875/4885

“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.