SCHEMBL12925934

SCHEMBL12925934

CC(C)c1ccc(C2CCCN(C)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
SLC6A3 Q01959 1/20 0.55
KCNH2 Q12809 1/20 0.55
LSS P48449 4/20 0.55
HPGD P15428 1/20 0.49
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
PROKR1 Q8TCW9 1/20 0.41
ASAH1 Q13510 1/20 0.41

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
SCHEMBL16980526 0.90 HPGD (0.47) SLC6A2SLC6A4SLC6A3KCNH2LSS
SCHEMBL25792279 0.83 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2LSS
SCHEMBL13416033 0.83 LSS (0.74) SLC6A2SLC6A4SLC6A3KCNH2LSS
SCHEMBL159409 0.83 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3KCNH2LSS
SCHEMBL10255530 0.82 HPGD (0.48) SLC6A2SLC6A4SLC6A3KCNH2HPGD
SCHEMBL16980404 0.82 DRD2 (0.53) KCNH2LSSHPGDDRD2DRD3
SCHEMBL23318254 0.81 DRD3 (0.60) SLC6A2SLC6A4SLC6A3KCNH2LSS
SCHEMBL12950820 0.81 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNH2LSS
SCHEMBL23469162 0.81 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3KCNH2LSS
SCHEMBL12925937 0.81 DRD2 (0.51) HPGDDRD2DRD3DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242519-A1 NOVEL COMPOUNDS PAKINAX PTY LTD. (AU) 2023-08-03 US disclosed
US-20230242519-A1 NOVEL COMPOUNDS PAKINAX PTY LTD. (AU) 2023-08-03 US disclosed
WO-2023097251-A1 OLIGONUCLEOTIDE-CONTAINING TRANSCRIPTION FACTOR TARGETING CHIMERAS YALE UNIVERSITY (US) 2023-06-01 WO disclosed
WO-2021194878-A1 SELECTIVE MODULATORS OF MUTANT LRRK2 PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-09-30 WO disclosed
WO-2021194879-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-09-30 WO disclosed
WO-2021077010-A1 BIFUNCTIONAL MOLECULES CONTAINING AN E3 UBIQUITINE LIGASE BINDING MOIETY LINKED TO A BCL6 TARGETING MOIETY ARVINAS OPERATIONS, INC. (US) 2021-04-22 WO disclosed
EP-3689868-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas Operations, Inc. (US) 2020-08-05 EP disclosed
WO-2020041331-A1 PROTEOLYSIS TARGETING CHIMERIC (PROTAC) COMPOUND WITH E3 UBIQUITIN LIGASE BINDING ACTIVITY AND TARGETING ALPHA-SYNUCLEIN PROTEIN FOR TREATING NEURODEGENERATIVE DISEASES ARVINAS OPERATIONS, INC. (US) 2020-02-27 WO disclosed
WO-2020023851-A1 BIFUNCTIONAL SUBSTITUED PYRIMIDINES AS MODULATORS OF FAK PROTEOLYSE YALE UNIVERSITY (US) 2020-01-30 WO disclosed
WO-2018119441-A9 EGFR PROTEOLYSIS TARGETING CHIMERIC MOLECULES AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2019-10-10 WO disclosed
US-9345719-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD. (KR) 2016-05-24 US disclosed
US-20150216168-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
US-20150216168-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-08-06 US disclosed
US-8957065-B2 Fused pyrimidine derivatives for inhibition of tyrosine kinase activity HANMI SCIENCE CO., LTD (KR) 2015-02-17 US disclosed
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2015-02-12 US disclosed
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD. (KR) 2013-05-09 US disclosed
US-7867980-B2 Lincosamide derivatives and antimicrobial agents comprising the same as active ingredient MEIJI SEIKA KAISHA, LTD. (JP) 2011-01-11 US disclosed
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD 2010-07-22 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 (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-20230242519-A1 NOVEL COMPOUNDS PAK4, PAK2, PAK1 SLC6A2 4856/4885SLC6A4 4687/4885SLC6A3 4587/4885
US-20150218110-A1 USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS GABBR1, GABRA1, GABRA6 SLC6A2 399/4885SLC6A4 210/4885SLC6A3 800/4885
US-20150045324-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 SLC6A2 4867/4885SLC6A4 4813/4885SLC6A3 4801/4885
US-20130116213-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, FYN, TYK2 SLC6A2 4867/4885SLC6A4 4813/4885SLC6A3 4801/4885
US-20150216168-A1 USE OF SUBSTITUTED 2-AMIDOBENZIMIDAZOLES, 2-AMIDOBENZOXAZOLES AND 2-AMIDOBENZOTHIAZOLES OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS ABAT, AAK1, AGXT SLC6A2 2362/4885SLC6A4 3007/4885SLC6A3 4201/4885
US-20100184746-A1 LINCOSAMIDE DERIVATIVES AND ANTIMICROBIAL AGENTS COMPRISING THE SAME AS ACTIVE INGREDIENT SIRT6, LAS1L, MRPS18A SLC6A2 4144/4885SLC6A4 3956/4885SLC6A3 3717/4885

“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.