SCHEMBL2146303

SCHEMBL2146303

CC(C)(C)OC(=O)N1CCN(c2ncc(C(=O)O)s2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.54
HDAC3 O15379 3/20 0.51
HDAC4 P56524 3/20 0.51
HDAC1 Q13547 3/20 0.51
HDAC7 Q8WUI4 3/20 0.51
HDAC2 Q92769 3/20 0.51
HDAC10 Q969S8 3/20 0.51
HDAC11 Q96DB2 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC9 Q9UKV0 3/20 0.51
HDAC5 Q9UQL6 3/20 0.51
CKS1B P61024 2/20 0.49
SKP1 P63208 2/20 0.49
SKP2 Q13309 2/20 0.49
HRH3 Q9Y5N1 3/20 0.47
GPR119 Q8TDV5 5/20 0.45
PTPN11 Q06124 1/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 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
SCHEMBL2575502 0.90 HRH3 (0.58) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL16501434 0.90 HDAC3 (0.54) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL13261644 0.89 HRH3 (0.57) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL2828526 0.89 HDAC3 (0.50) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL2828808 0.86 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28539764 0.86 HDAC3 (0.48) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL8099589 0.85 SCD (0.42) SCDHDAC3HDAC4HDAC1HDAC7
SCHEMBL3155607 0.84 OGA (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1199336 0.84 GPR119 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12193543 0.84 HRH3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, LLC (US) 2023-01-03 US disclosed
US-10968223-B2 Imidazo[4,5-c]pyridine and pyrrolo[2,3-c]pyridine derivatives as SSAO inhibitors PROXIMAGEN, LLC (US) 2021-04-06 US disclosed
US-10968223-B2 Imidazo[4,5-c]pyridine and pyrrolo[2,3-c]pyridine derivatives as SSAO inhibitors PROXIMAGEN, LLC (US) 2021-04-06 US disclosed
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2020-12-03 US disclosed
US-20200347059-A1 IMIDAZO[4,5-C]PYRIDINE AND PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS SSAO INHIBITORS PROXIMAGEN, LLC (US) 2020-11-05 US disclosed
US-20200347059-A1 IMIDAZO[4,5-C]PYRIDINE AND PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS SSAO INHIBITORS PROXIMAGEN, LLC (US) 2020-11-05 US disclosed
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors REGENACY PHARMACEUTICALS, INC. (US) 2020-09-15 US disclosed
US-10766897-B2 Imidazo[4,5-c]pyridine and pyrrolo[2,3-c]pyridine derivatives as SSAO inhibitors PROXIMAGEN, LLC (US) 2020-09-08 US disclosed
US-10766897-B2 Imidazo[4,5-c]pyridine and pyrrolo[2,3-c]pyridine derivatives as SSAO inhibitors PROXIMAGEN, LLC (US) 2020-09-08 US disclosed
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS REGENACY PHARMACEUTICALS, LLC 2019-10-31 US disclosed
US-20130035342-A1 Compound Suitable for the Treatment of Synucleopathies NEUROPORE THERAPIES, INC. (US) 2013-02-07 US disclosed
EP-2513090-A1 COMPOUND SUITABLE FOR THE TREATMENT OF SYNUCLEOPATHIES Neuropore Therapies, Inc. (US) 2012-10-24 EP disclosed
CN-102725284-A Compound suitable for the treatment of synucleopathies NEUROPORE THERAPIES INC 2012-10-10 CN disclosed
US-20110269712-A1 Fungicidal Carboxamides BISAHA JOHN JOSEPH 2011-11-03 US disclosed
WO-2011084642-A1 COMPOUND SUITABLE FOR THE TREATMENT OF SYNUCLEOPATHIES NEUROPORE THERAPIES, INC. (US) 2011-07-14 WO disclosed
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
US-7300939-B2 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-11-27 US disclosed
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-05-17 US disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 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 (10 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-20110269712-A1 Fungicidal Carboxamides NAT1, PFAS, CHRM1 SCD 4473/4885HDAC3 261/4885HDAC4 547/4885
US-20130035342-A1 Compound Suitable for the Treatment of Synucleopathies SNCA, HTT, SMN1; SMN2 SCD 2395/4885HDAC3 152/4885HDAC4 1692/4885
US-10766897-B2 Imidazo[4,5-c]pyridine and pyrrolo[2,3-c]pyridine derivatives as SSAO inhibitors PNPO, SSB, XDH SCD 1463/4885HDAC3 1948/4885HDAC4 1126/4885
US-11542242-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 SCD 2908/4885HDAC3 8/4885HDAC4 6/4885
US-10774056-B2 Substituted piperazines as selective HDAC1,2 inhibitors HDAC1, HDAC2, HDAC11 SCD 2940/4885HDAC3 7/4885HDAC4 10/4885
US-10968223-B2 Imidazo[4,5-c]pyridine and pyrrolo[2,3-c]pyridine derivatives as SSAO inhibitors PNPO, PPOX, SCO2 SCD 2769/4885HDAC3 2167/4885HDAC4 1021/4885
US-20200377465-A1 SUBSTITUTED PIPERAZINES AS SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 SCD 2517/4885HDAC3 7/4885HDAC4 9/4885
US-20190330169-A1 SELECTIVE HDAC1,2 INHIBITORS HDAC1, HDAC2, HDAC11 SCD 1751/4885HDAC3 6/4885HDAC4 9/4885
US-20200347059-A1 IMIDAZO[4,5-C]PYRIDINE AND PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS SSAO INHIBITORS PNPO, PPOX, SCO2 SCD 2769/4885HDAC3 2167/4885HDAC4 1021/4885
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRM5, GRIK5, GRM1 SCD 3019/4885HDAC3 1493/4885HDAC4 3304/4885

“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.