SCHEMBL1829291

SCHEMBL1829291

CC(C)(C)CC(=O)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
GAA P10253 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
CHKA P35790 1/20 0.42
HPGD P15428 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
GNAI3 P08754 3/20 0.36
GNAO1 P09471 3/20 0.36

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
SCHEMBL22030932 0.93 CA2 (0.50) CA2CA12CA1CA9GAA
Trifluoroacetic Acid SCHEMBL25195860 0.89 PKM (0.44) CA2CA12CA1CA9GAA
SCHEMBL12583186 0.86 GAA (0.42) CA2CA12CA1CA9GAA
SCHEMBL24208228 0.86 SIGMAR1 (0.36) CA2CA12CA1CA9GAA
SCHEMBL22891209 0.85 CHRNB2 (0.59) SIGMAR1HPGDCHRNB2CHRNA3CHRNA4
SCHEMBL18164986 0.85 DDB1 (0.45) HPGDTPSAB1TPSD1TPSG1DDB1
SCHEMBL23518518 0.84 ALDH1A1 (0.42) GAAHPGDTPSAB1TPSD1TPSG1
SCHEMBL22248571 0.84 GAA (0.41) CA2CA12CA1CA9GAA
Hydrochloric Acid SCHEMBL29165308 0.84 HPGD (0.42) CA2CA12CA1CA9GAA
SCHEMBL27512239 0.84 GAA (0.41) CA2CA12CA1CA9GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 US claimed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 EP claimed
CN-104046246-A Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PROD & CHEM 2014-09-17 CN claimed
US-20240026358-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2024-01-25 US disclosed
EP-3983404-B1 DISUBSTITUTED PYRAZOLE COMPOUNDS AS KETOHEXOKINASE INHBITORS LILLY CO ELI (US) 2023-08-09 EP disclosed
US-20230203087-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 US disclosed
US-20230203484-A1 DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 US disclosed
US-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase BIOCRYST PHARMACEUTICALS, INC. (US) 2023-05-30 US disclosed
US-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2022-12-08 US disclosed
US-20220017496-A1 DISUBSTITUTED PYRAZOLE COMPOUNDS ELI LILLY AND COMPANY 2022-01-20 US disclosed
EP-3929194-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS Bristol-Myers Squibb Company (US) 2021-12-29 EP disclosed
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2012-07-26 US disclosed
US-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI (IT) 2011-07-28 US disclosed
US-20110183919-A1 NOVEL DIPEPTIDYL PEPTIDASE IV (DP-IV) COMPOUNDS CADILA PHARMACEUTICALS LTD. (IN) 2011-07-28 US disclosed
EP-2318400-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS Istituto Di Ricerche Di Biologia Molecolare P. Angeletti S.P.A. (IT) 2011-05-11 EP disclosed
WO-2010013037-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-02-04 WO disclosed
US-20090012091-A1 Oximide derivatives and their therapeutical application KINAGEN, INC. (US) 2009-01-08 US disclosed
US-6982260-B1 Quinazolines and their use for inhibiting cyclin-dependent kinase enzymes WARNER-LAMBERT COMPANY (US) 2006-01-03 US disclosed
EP-1235815-A1 QUINAZOLINES AND THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASE ENZYMES WARNER-LAMBERT COMPANY (US) 2002-09-04 EP disclosed
WO-2001038315-A1 QUINAZOLINES AND THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASE ENZYMES WARNER-LAMBERT COMPANY (US) 2001-05-31 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 (8 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-20220389020-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 CA2 3763/4885CA12 4025/4885CA1 3760/4885
US-20120190665-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 CA2 3763/4885CA12 4025/4885CA1 3760/4885
US-20090012091-A1 Oximide derivatives and their therapeutical application CYP11B2, NOS2, HMOX2 CA2 369/4885CA12 66/4885CA1 663/4885
US-11661426-B2 Imidazole-containing inhibitors of ALK2 kinase ALK, ACVR2B, ACVR2A CA2 340/4885CA12 3040/4885CA1 4274/4885
US-20220017496-A1 DISUBSTITUTED PYRAZOLE COMPOUNDS SLC5A2, SLC5A1, GOT2 CA2 2444/4885CA12 3131/4885CA1 4517/4885
US-20230203087-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF RNGTT, NSUN2, ALKBH1 CA2 2171/4885CA12 775/4885CA1 720/4885
US-20110183919-A1 NOVEL DIPEPTIDYL PEPTIDASE IV (DP-IV) COMPOUNDS DPP4, DPP3, DPP7 CA2 1544/4885CA12 2457/4885CA1 2074/4885
US-20110183974-A1 1,2,4-OXADIAZOLE SUBSTITUTED PIPERIDINE AND PIPERAZINE DERIVATIVES AS SMO ANTAGONISTS SHH, SMO, GLI1 CA2 3398/4885CA12 2837/4885CA1 2060/4885

“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.