SCHEMBL166365

SCHEMBL166365

CN1CCN(CCNC(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
CNR1 P21554 1/20 0.50
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
PAOX Q6QHF9 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP2C19 P33261 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
CYP1A2 P05177 1/20 0.43
HTR4 Q13639 1/20 0.43

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
SCHEMBL18824247 0.93 HDAC2 (0.49) HDAC2HDAC8HDAC6CNR1ALDH1A1
SCHEMBL21065340 0.91 CA12 (0.48) HDAC2HDAC8HDAC6ALDH1A1POLB
SCHEMBL6956615 0.88 KMT2A (0.55) ALDH1A1KMT2APAOXKDM4E
SCHEMBL10404517 0.85 HDAC2 (0.56) HDAC2HDAC8HDAC6CNR1ALDH1A1
SCHEMBL8220225 0.85 CNR1 (0.59) HDAC2HDAC8HDAC6CNR1ALDH1A1
SCHEMBL25203388 0.83 CA12 (0.43) HDAC2HDAC8HDAC6ALDH1A1POLB
SCHEMBL2091285 0.83 HDAC2 (0.54) HDAC2HDAC8HDAC6CNR1ALDH1A1
SCHEMBL165673 0.83 CA12 (0.60) CNR1ALDH1A1POLBKMT2AMEN1
SCHEMBL20545328 0.82 SIGMAR1 (0.51) ALDH1A1KMT2APAOXKDM4E
SCHEMBL20807436 0.82 HDAC2 (0.53) HDAC2HDAC8HDAC6CNR1ALDH1A1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024107753-A2 TREATMENT OF ASCT2-DEPENDENT CANCERS NEUPHARMA, INC (US) 2024-05-23 WO claimed
US-20200354398-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2020-11-12 US claimed
EP-3453714-B1 CARDENOLIDE AND BUFADIENOLIDE 3-CARBONATE AND 3-CARBAMATE DERIVATIVES FOR THE TREATMENT OF CANCER AND COMPOSITIONS THEREOF SUZHOU NEUPHARMA CO LTD (CN) 2020-11-04 EP claimed
US-10766920-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2020-09-08 US claimed
US-20200024303-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2020-01-23 US claimed
US-10344048-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC. (US) 2019-07-09 US claimed
EP-3453714-A2 CARDENOLIDE AND BUFADIENOLIDE 3-CARBONATE AND 3-CARBAMATE DERIVATIVES FOR THE TREATMENT OF CANCER AND COMPOSITIONS THEREOF Suzhou Neupharma Co., Ltd (CN) 2019-03-13 EP claimed
US-20170088580-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2017-03-30 US claimed
US-9527852-B2 Phenyl-urea and phenyl-carbamate derivatives as inhibitors of protein aggregation NEUROPORE THERAPIES, INC. (US) 2016-12-27 US claimed
US-9487524-B2 2016-11-08 US claimed
US-9018197-B2 Tetradecahydro-1H-cyclopenta[a]phenanthrene compounds, compositions, and related methods of use SUZHOU NEUPHARMA CO. LTD. (CN) 2015-04-28 US claimed
EP-2830608-A1 PHENYL-UREA AND PHENYL-CARBAMATE DERIVATIVES AS INHIBITORS OF PROTEIN AGGREGATION Neuropore Therapies, Inc. (US) 2015-02-04 EP claimed
CN-103619865-A Certain chemical entities, compositions, and methods SUZHOU NEUPHARMA CO LTD 2014-03-05 CN claimed
WO-2013148365-A1 PHENYL-UREA AND PHENYL-CARBAMATE DERIVATIVES AS INHIBITORS OF PROTEIN AGGREGATION NEUROPORE THERAPIES, INC. (US) 2013-10-03 WO claimed
CN-102656179-A Bufalin derivatives, pharmaceutical compositions and uses thereof SUZHOU NEUPHARMA CO LTD 2012-09-05 CN claimed
US-20120196842-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC. 2012-08-02 US claimed
WO-2012027957-A1 BUFALIN DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF SUZHOU NEUPHARMA CO., LTD. (CN) 2012-03-08 WO claimed
CN-118829423-A Compositions for delivery of payload molecules to airway epithelium 摩登纳特斯有限公司 2024-10-22 CN disclosed
CN-102656179-A Bufalin derivatives, pharmaceutical compositions and uses thereof SUZHOU NEUPHARMA CO LTD 2012-09-05 CN disclosed
WO-2012027957-A1 BUFALIN DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF SUZHOU NEUPHARMA CO., LTD. (CN) 2012-03-08 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 (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-20200354398-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TP53, VHL, SGMS2 HDAC2 1377/4885HDAC8 1591/4885HDAC6 485/4885
US-20170088580-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TP53, VHL, SGMS2 HDAC2 1377/4885HDAC8 1591/4885HDAC6 485/4885
US-20120196842-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TP53, VHL, SGMS2 HDAC2 1377/4885HDAC8 1591/4885HDAC6 485/4885
US-10766920-B2 Certain chemical entities, compositions, and methods TP53, VHL, SGMS2 HDAC2 1377/4885HDAC8 1591/4885HDAC6 485/4885
US-20200024303-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS TP53, VHL, SGMS2 HDAC2 1377/4885HDAC8 1591/4885HDAC6 485/4885
US-10344048-B2 Certain chemical entities, compositions, and methods TP53, VHL, SGMS2 HDAC2 1377/4885HDAC8 1591/4885HDAC6 485/4885

“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.