SCHEMBL7080075

SCHEMBL7080075

CC(=O)NC(C)(C)CC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
EPHX1 P07099 3/20 0.46
HTT P42858 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
DUT P33316 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DPP4 P27487 1/20 0.33
THRB P10828 1/20 0.32
ACACB O00763 1/20 0.32
CA2 P00918 1/20 0.32
PTGS1 P23219 1/20 0.32
MMP12 P39900 1/20 0.32

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
SCHEMBL12697065 0.89 POLB (0.38) POLBEPHX1HTTMAPTMEN1
SCHEMBL24820865 0.82 POLB (0.34) POLBEPHX1HTTPKMKDM4E
SCHEMBL22924932 0.81 EPHX1 (0.50) POLBEPHX1HTTSMN1; SMN2MAPT
SCHEMBL6566836 0.81 EPHX1 (0.57) POLBEPHX1HTTSMN1; SMN2MAPT
SCHEMBL19425988 0.80 POLB (0.46) POLBEPHX1HTTSMN1; SMN2MAPT
SCHEMBL22043429 0.80 POLB (0.33) POLBEPHX1PKMKDM4ETHRB
SCHEMBL24116310 0.80 POLB (0.33) POLBEPHX1PKMKDM4ETHRB
SCHEMBL21096690 0.80 NFKB1 (0.33) POLBEPHX1PKMKDM4ETHRB
SCHEMBL12446622 0.79 POLB (0.53) POLBEPHX1HTTSMN1; SMN2MAPT
SCHEMBL16712825 0.78 PKM (0.34) POLBEPHX1HTTMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118638014-A Preparation method of tert-octylamine 北京和堃医药科技有限公司 2024-09-13 CN claimed
CN-113105339-B Preparation method of tert-octylamine 山东玉皇化工有限公司 2023-04-07 CN claimed
CN-113105339-A Preparation method of tert-octylamine 山东玉皇化工有限公司 2021-07-13 CN claimed
EP-1326613-A1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO 1,2-A]PYRIMIDINE AND IMIDAZO 1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2003-07-16 EP claimed
WO-2002030428-A1 USE OF SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-, IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2002-04-18 WO claimed
CN-120025043-A Recovery method of tert-octylamine sulfuric acid wastewater as intermediate of light stabilizer 944 宿迁联盛助剂有限公司 2025-05-23 CN disclosed
CN-118638014-A Preparation method of tert-octylamine 北京和堃医药科技有限公司 2024-09-13 CN disclosed
CN-118638014-A Preparation method of tert-octylamine 北京和堃医药科技有限公司 2024-09-13 CN disclosed
US-20240067662-A1 KRAS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-02-29 US disclosed
US-20240018378-A1 UV-VIS RADIATION CURABLE SECURITY INKS FOR PRODUCING DICHROIC SECURITY FEATURES SICPA HOLDING SA (CH) 2024-01-18 US disclosed
US-20230365438-A1 HYBRID DIMENSIONAL MATERIAL INTERLAYER REGULATED THIN FILM COMPOSITE NANOFILTRATION MEMBRANE FOR NUTRIENTS RECOVERY GEORGIA TECH RESEARCH CORPORATION 2023-11-16 US disclosed
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES Atea Pharmaceuticals, Inc. (US) 2023-10-19 US disclosed
US-7429574-B2 4-heterocyclo-pyrrolo[2,3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 US disclosed
US-7276520-B2 Bicyclic piperidine derivatives as melanocortin-4 receptor agonists MERCK & CO., INC. (US) 2007-10-02 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
EP-1326613-A1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO 1,2-A]PYRIMIDINE AND IMIDAZO 1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2003-07-16 EP disclosed
WO-2002030428-A1 USE OF SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-, IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2002-04-18 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 (4 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-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 POLB 4498/4885EPHX1 1989/4885HTT 4633/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 POLB 2897/4885EPHX1 649/4885HTT 1121/4885
US-20230331751-A1 STEREOSELECTIVE MANUFACTURE OF SELECTED PURINE PHOSPHORAMIDATES NUDT1, PNP, ATIC POLB 503/4885EPHX1 1092/4885HTT 1872/4885
US-20240067662-A1 KRAS INHIBITORS KRAS, NRAS, HRAS POLB 1292/4885EPHX1 3386/4885HTT 2804/4885

“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.