SCHEMBL16804252

SCHEMBL16804252

CCN1CCN(c2ccnc3c2ccn3Cc2ccc(C(=O)OC)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
CHKA P35790 1/20 0.41
KDM4E B2RXH2 2/20 0.40
YTHDC1 Q96MU7 1/20 0.39
CYP11B2 P19099 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 2/20 0.39
CHRM1 P11229 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
USP2 O75604 1/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL18852706 0.92 OPRD1 (0.41) OPRD1OPRK1CHKAKDM4EYTHDC1
SCHEMBL18108930 0.90 ALDH1A1 (0.50) OPRD1OPRK1CHKAALDH1A1LMNA
SCHEMBL18109023 0.90 CHKA (0.44) OPRD1OPRK1CHKAKDM4EALDH1A1
SCHEMBL18108938 0.90 CHKA (0.47) OPRD1OPRK1CHKAKDM4EYTHDC1
SCHEMBL18108982 0.90 HDAC1 (0.49) CHKALMNAMAPTKMT2AGAA
SCHEMBL16804347 0.89 OPRD1 (0.38) OPRD1OPRK1CHKAKDM4EYTHDC1
SCHEMBL18125630 0.89 NPC1 (0.44) OPRD1OPRK1CHKAKDM4EYTHDC1
SCHEMBL18108961 0.89 CYP11B2 (0.39) OPRD1OPRK1CHKAKDM4EYTHDC1
SCHEMBL16804394 0.88 OPRD1 (0.37) OPRD1OPRK1CHKAKDM4EYTHDC1
SCHEMBL16804242 0.88 HDAC1 (0.48) CHRM1

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 3878/4885CHKA 1880/4885

“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.