SCHEMBL5593365

SCHEMBL5593365

CCN(CC)Cc1ccc(CO)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.67
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
PYCR1 P32322 1/20 0.44
CNR2 P34972 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL7768079 0.87 HRH3 (0.84) HRH3HDAC8HDAC6PYCR1CNR2
SCHEMBL14488615 0.85 TSHR (0.48) HRH3HDAC8HDAC6PYCR1CNR2
SCHEMBL1204908 0.82 HRH3 (0.69) HRH3
SCHEMBL20470512 0.82 HRH3 (0.61) HRH3HDAC8HDAC6
SCHEMBL2876380 0.82 HRH3 (0.61) HRH3HDAC8HDAC6PYCR1CNR2
SCHEMBL7315600 0.81 HRH3 (0.50) HRH3HDAC8HDAC6
SCHEMBL1822450 0.81 HRH3 (0.67) HRH3HDAC8HDAC6PYCR1ACHE
SCHEMBL12680476 0.80 HRH3 (1.00) HRH3HDAC8HDAC6PYCR1CNR2
SCHEMBL5926009 0.80 HRH3 (0.73) HRH3HDAC8HDAC6PYCR1CNR2
SCHEMBL28510659 0.79 HRH3 (0.41) HRH3HDAC8HDAC6PYCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110938076-B Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2021-08-10 CN disclosed
CN-112898308-A Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2021-06-04 CN disclosed
CN-110759916-B Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2021-02-19 CN disclosed
CN-110938076-A Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2020-03-31 CN disclosed
CN-110759916-A Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2020-02-07 CN disclosed
CN-106661034-A Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2017-05-10 CN disclosed
CN-105367576-A Pyrrolopyrimidine compounds as TLR7 agonists CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD 2016-03-02 CN disclosed
US-20120283433-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES MANI NEELAKANDHA S (US) 2012-11-08 US disclosed
US-20120029191-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES MANI NEELAKANDHA S (US) 2012-02-02 US disclosed
WO-2007104695-A1 QUINOLIN-4-YLHYDRAZINE DERIVATIVES AS ANTIMALARIAL AGENT SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-09-20 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-20120283433-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES HRH4, HRH2, HRH1 HRH3 4/4885HDAC8 1185/4885HDAC6 932/4885
US-20120029191-A1 NOVEL PROCESSES FOR THE PREPARATION OF CYCLOPROPYL-AMIDE DERIVATIVES HRH4, HRH2, HRH1 HRH3 4/4885HDAC8 1185/4885HDAC6 932/4885

“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.