SCHEMBL311537

SCHEMBL311537

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA7 P43166 2/20 0.51
CYP2D6 P10635 1/20 0.46
CTSK P43235 10/20 0.44
CTSS P25774 5/20 0.44
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
CA12 O43570 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL15371473 1.00 CA1 (0.51) CA1CA2CA7CYP2D6CTSK
SCHEMBL2078537 1.00 CA1 (0.51) CA1CA2CA7CYP2D6CTSK
SCHEMBL19084258 0.86 CA1 (0.53) CA1CA2CA7CYP2D6CTSK
SCHEMBL4662182 0.83 CA2 (0.50) CA1CA2CA7CYP2D6CTSK
SCHEMBL4662184 0.83 CA2 (0.50) CA1CA2CA7CYP2D6CTSK
SCHEMBL4662297 0.83 CA2 (0.50) CA1CA2CA7CYP2D6CTSK
SCHEMBL10148280 0.82 CA1 (0.53) CA1CA2CA7CYP2D6CTSK
SCHEMBL14124966 0.82 CA1 (0.53) CA1CA2CA7CYP2D6CTSK
SCHEMBL28966590 0.82 CA1 (0.53) CA1CA2CA7CYP2D6CTSK
SCHEMBL3389057 0.82 CA1 (0.49) 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 88 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-3661928-B1 N-[(PYRIMIDINYLAMINO)PROPANYL]-, N-[(PYRIDYLAMINO)PROPANYL]- AND N-[(PYRAZINYLAMINO)PROPANYL]ARYLCARBOXAMIDES BOEHRINGER INGELHEIM INT (DE) 2021-06-16 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-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists ROCHE PALO ALTO LLC (US) 2019-02-12 US disclosed
US-7786110-B2 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2010-08-31 US disclosed
US-20100152203-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS CHEN LI 2010-06-17 US disclosed
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists DILLON MICHAEL PATRICK 2009-12-31 US disclosed
US-7595405-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2009-09-29 US disclosed
US-20090170874-A1 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-07-02 US disclosed
US-20090170873-A1 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-07-02 US disclosed
US-20090163499-A1 Imidazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-06-25 US disclosed
US-20090163502-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2009-06-25 US disclosed
US-20080132494-A1 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-06-05 US disclosed
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-01-03 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 (15 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-20090163502-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX7 CA1 3266/4885CA2 1115/4885CA7 2697/4885
US-20090163499-A1 Imidazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX1 CA1 4078/4885CA2 1480/4885CA7 3933/4885
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists P2RX2, P2RX3, TPX2 CA1 3916/4885CA2 845/4885CA7 3570/4885
US-20090170873-A1 Pyrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX7 CA1 3380/4885CA2 1157/4885CA7 3501/4885
US-20100152203-A1 THIADIAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX7 CA1 4235/4885CA2 1605/4885CA7 4125/4885
US-10703740-B2 Substituted benzimidazoles, their preparation and their use as pharmaceuticals BRD3, BRDT, BRD4 CA1 4809/4885CA2 4140/4885CA7 3296/4885
US-20090170874-A1 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX7 CA1 3026/4885CA2 931/4885CA7 2971/4885
US-11981657-B2 Substituted benzimidazoles, their preparation and their use as pharmaceuticals BRD3, BRDT, BRD4 CA1 4809/4885CA2 4140/4885CA7 3296/4885
US-20080132494-A1 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX1 CA1 2118/4885CA2 453/4885CA7 1547/4885
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists P2RX3, P2RX2, P2RX5 CA1 3227/4885CA2 1000/4885CA7 3222/4885
US-20240425481-A1 SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS BRD3, BRDT, BRD4 CA1 4809/4885CA2 4140/4885CA7 3296/4885
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 CA1 3227/4885CA2 1000/4885CA7 3222/4885
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.