SCHEMBL90187

SCHEMBL90187

CCOC[C@H](C)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CYP2D6 P10635 1/20 0.44
CTSK P43235 12/20 0.43
CTSS P25774 6/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CAPN1 P07384 1/20 0.38
PPARA Q07869 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
SCHEMBL19041565 1.00 CA1 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL89821 1.00 CA1 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL19084258 0.91 CA1 (0.53) CA1CA2CA7CYP2D6CTSK
SCHEMBL13167905 0.84 CYP1A2 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL31390853 0.84 CYP1A2 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL15181379 0.84 CYP1A2 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL23304777 0.83 CYP1A2 (0.45) CA1CA2CA7CYP2D6CTSK
SCHEMBL23304775 0.83 CYP1A2 (0.45) CA1CA2CA7CYP2D6CTSK
SCHEMBL23297026 0.83 CYP2D6 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL22405809 0.83 CA1 (0.46) CA1CA2CA7CYP2D6CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425481-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS EPIGENETIX, INC. 2024-12-26 US disclosed
US-11981657-B2 Substituted benzimidazoles, their preparation and their use as pharmaceuticals EPIGENETIX, INC. (US) 2024-05-14 US disclosed
US-20230120413-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS NEOMED INSTITUTE (CA) 2023-04-20 US disclosed
US-11365186-B2 Substituted benzimidazoles, their preparation and their use as pharmaceuticals EPIGENETIX, INC. (US) 2022-06-21 US disclosed
US-11365186-B2 Substituted benzimidazoles, their preparation and their use as pharmaceuticals EPIGENETIX, INC. (US) 2022-06-21 US disclosed
CN-114605387-A Substituted benzimidazoles, their preparation and their use as medicaments 埃皮吉纳提克斯股份有限公司 2022-06-10 CN disclosed
EP-3334719-B1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS NEOMED INST (CA) 2021-09-15 EP disclosed
US-20210107893-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS EPIGENETIX, INC. 2021-04-15 US disclosed
US-10703740-B2 Substituted benzimidazoles, their preparation and their use as pharmaceuticals NEOMED INSTITUTE (CA) 2020-07-07 US disclosed
US-9932313-B2 Pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-04-03 US disclosed
US-9139532-B2 Pyrazolyl guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-09-22 US disclosed
US-9139532-B2 Pyrazolyl guanidine F1F0-atpase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2015-09-22 US disclosed
CN-103476252-A Pyrazolyl guanidines F1F0Inhibitors of ATPase and therapeutic uses thereof LYCERA CORP 2013-12-25 CN disclosed
WO-2012078874-A1 PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION (US) 2012-06-14 WO disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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 (7 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-11365186-B2 Substituted benzimidazoles, their preparation and their use as pharmaceuticals BRD3, BRDT, BRD4 CA1 4809/4885CA2 4140/4885CA7 3296/4885
US-20230120413-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BRD3, BRDT, BRD4 CA1 4809/4885CA2 4140/4885CA7 3296/4885
US-20090192148-A1 Organic Compounds REN, ACE, AGTR1 CA1 2037/4885CA2 562/4885CA7 1717/4885
US-10703740-B2 Substituted benzimidazoles, their preparation and their use as pharmaceuticals BRD3, BRDT, BRD4 CA1 4809/4885CA2 4140/4885CA7 3296/4885
US-11981657-B2 Substituted benzimidazoles, their preparation and their use as pharmaceuticals BRD3, BRDT, BRD4 CA1 4809/4885CA2 4140/4885CA7 3296/4885
US-20240425481-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BRD3, BRDT, BRD4 CA1 4809/4885CA2 4140/4885CA7 3296/4885
US-20210107893-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BRD3, BRDT, BRD4 CA1 4809/4885CA2 4140/4885CA7 3296/4885

“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.