SCHEMBL2800892

SCHEMBL2800892

CC(C)(C)OC(=O)N1CC2(CCN(C(=O)OCc3ccccc3)CC2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.56
HDAC8 Q9BY41 3/20 0.56
HDAC6 Q9UBN7 3/20 0.56
P2RY1 P47900 1/20 0.52
XIAP P98170 1/20 0.50
BIRC2 Q13490 1/20 0.50
NPC1L1 Q9UHC9 1/20 0.49
KDM1A O60341 1/20 0.47
TACR1 P25103 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NOTUM Q6P988 2/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 1/20 0.44
GHSR Q92847 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CYP2C19 P33261 1/20 0.42

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
SCHEMBL8221795 0.96 HDAC1 (0.56) HDAC1HDAC8HDAC6P2RY1XIAP
SCHEMBL20955233 0.89 SCN5A (0.52) HDAC1HDAC8HDAC6P2RY1XIAP
SCHEMBL15676881 0.89 HDAC1 (0.47) HDAC1HDAC8HDAC6P2RY1XIAP
SCHEMBL20955202 0.89 XIAP (0.46) HDAC1HDAC8HDAC6P2RY1XIAP
SCHEMBL20955412 0.89 XIAP (0.64) HDAC1HDAC8HDAC6P2RY1XIAP
SCHEMBL20954995 0.89 XIAP (0.52) HDAC1HDAC8HDAC6P2RY1XIAP
SCHEMBL14530334 0.89 HDAC1 (0.61) HDAC1HDAC8HDAC6P2RY1XIAP
SCHEMBL14530335 0.89 HDAC1 (0.59) HDAC1HDAC8HDAC6P2RY1XIAP
SCHEMBL20954935 0.88 HDAC1 (0.47) HDAC1HDAC8HDAC6P2RY1XIAP
SCHEMBL20955118 0.86 HDAC1 (0.47) HDAC1HDAC8HDAC6P2RY1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 US disclosed
EP-3480198-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2021-05-05 EP disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 US disclosed
EP-3480198-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2019-05-08 EP disclosed
EP-2206714-B1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO LTD (JP) 2015-01-21 EP disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
EP-2206714-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES Kyowa Hakko Kirin Co., Ltd. (JP) 2010-07-14 EP disclosed
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US disclosed
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS PFIZER INC. 2008-12-18 US disclosed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US disclosed
US-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US disclosed
US-20070078152-A1 Piperidine derivatives AMGEN INC. 2007-04-05 US 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 (6 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 HDAC1 608/4885HDAC8 565/4885HDAC6 40/4885
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof DPP8, DPP7, AZI2 HDAC1 42/4885HDAC8 16/4885HDAC6 11/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 HDAC1 27/4885HDAC8 17/4885HDAC6 7/4885
US-20080312271-A1 AZABENZIMIDAZOLYL COMPOUNDS AZI2, PAICS, UGT2B7 HDAC1 238/4885HDAC8 248/4885HDAC6 54/4885
US-20070078152-A1 Piperidine derivatives VIPR2, VIPR1, GRPR HDAC1 651/4885HDAC8 687/4885HDAC6 772/4885
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 HDAC1 607/4885HDAC8 369/4885HDAC6 503/4885

“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.