SCHEMBL1109797

SCHEMBL1109797

CN(CCCCCCCCO)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
CA14 Q9ULX7 1/20 0.43
HDAC6 Q9UBN7 2/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
L3MBTL1 Q9Y468 4/20 0.36
CTSK P43235 2/20 0.36
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
LMNA P02545 1/20 0.36
METAP2 P50579 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
PDK2 Q15119 1/20 0.33
GBA1 P04062 1/20 0.32
SSTR4 P31391 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
SCHEMBL30011319 1.00 TDP1 (0.47) TDP1CA14HDAC6HDAC1HDAC2
SCHEMBL17267507 1.00 TDP1 (0.47) TDP1CA14HDAC6HDAC1HDAC2
SCHEMBL12281742 1.00 TDP1 (0.47) TDP1CA14HDAC6HDAC1HDAC2
SCHEMBL1922814 1.00 TDP1 (0.47) TDP1CA14HDAC6HDAC1HDAC2
SCHEMBL2478206 0.98 TDP1 (0.44) TDP1CA14HDAC6HDAC1HDAC2
SCHEMBL1094425 0.92 TDP1 (0.42) TDP1CA14HDAC6HDAC1HDAC2
SCHEMBL8130161 0.90 TDP1 (0.46) TDP1CA14HDAC6HDAC1HDAC2
SCHEMBL25720861 0.87 ALDH1A1 (0.42) CA14HDAC6HDAC1HDAC2L3MBTL1
SCHEMBL28054291 0.85 TRPV4 (0.41) TDP1CA14HDAC1L3MBTL1LMNA
SCHEMBL31572485 0.85 EPHX2 (0.41) CA14HDAC6HDAC1HDAC2L3MBTL1

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-7638639-B2 Substituted pyrrolidine and related compounds THERAVANCE, INC. (US) 2009-12-29 US claimed
US-20080161577-A1 Substituted pyrrolidine and related compounds THERAVANCE BIOPHARMA R&D IP, LLC 2008-07-03 US claimed
US-20070078163-A1 Substituted pyrrolidine and related compounds THERAVANCE BIOPHARMA R&D IP, LLC 2007-04-05 US claimed
JP-2007507496-A 2007-03-29 JP claimed
EP-1633707-A1 1- (ALKYLAMINOALKYL-PYROLIDIN-/PIPERIDINYL) -2, 2-DIPHENYLACETAMIDE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2006-03-15 EP claimed
WO-2005003090-A1 1- (ALKYLAMINOALKYL-PYROLIDIN-/PIPERIDINYL) -2, 2-DIPHENYLACETAMIDE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-01-13 WO claimed
US-20040254219-A1 Substituted pyrrolidine and related compounds THERAVANCE BIOPHARMA R&D IP, LLC 2004-12-16 US claimed
US-20250032623-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. 2025-01-30 US disclosed
WO-2023059583-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2023-04-13 WO disclosed
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-11-01 US disclosed
EP-2280006-A1 PHARMACEUTICAL COMPOSITION FOR INHALATION COMPRISING AN OXAZOLE OR THIAZOLE M3 MUSCARINIC RECEPTOR ANTAGONIST Pulmagen Therapeutics (Synergy) Limited (GB) 2011-02-02 EP disclosed
EP-1924570-B1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE PULMAGEN THERAPEUTICS SYNERGY (GB) 2010-10-20 EP disclosed
US-20100113540-A1 Azole and Thiazole Derivatives and Their Use ARGENTA DISCOVERY LIMITED (GB) 2010-05-06 US disclosed
US-20070078163-A1 Substituted pyrrolidine and related compounds THERAVANCE BIOPHARMA R&D IP, LLC 2007-04-05 US disclosed
US-7183292-B2 Substituted pyrrolidine and related compounds THERAVANCE, INC. (US) 2007-02-27 US disclosed
WO-2007017669-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE ARGENTA DISCOVERY LTD. (GB) 2007-02-15 WO disclosed
EP-1633707-A1 1- (ALKYLAMINOALKYL-PYROLIDIN-/PIPERIDINYL) -2, 2-DIPHENYLACETAMIDE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2006-03-15 EP disclosed
US-20050277688-A1 Crystalline form of a substituted pyrrolidine compound THERAVANCE, INC. 2005-12-15 US disclosed
WO-2005003090-A1 1- (ALKYLAMINOALKYL-PYROLIDIN-/PIPERIDINYL) -2, 2-DIPHENYLACETAMIDE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2005-01-13 WO disclosed
US-20040254219-A1 Substituted pyrrolidine and related compounds THERAVANCE BIOPHARMA R&D IP, LLC 2004-12-16 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 (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-20100113540-A1 Azole and Thiazole Derivatives and Their Use CHRM3, CHRM2, CHRM1 TDP1 4253/4885CA14 1180/4885HDAC6 1629/4885
US-20050277688-A1 Crystalline form of a substituted pyrrolidine compound PKD2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PKD1 TDP1 2944/4885CA14 633/4885HDAC6 137/4885
US-20120277275-A1 AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE CHRM3, GPR65, GPR34 TDP1 3454/4885CA14 1337/4885HDAC6 1765/4885
US-20080161577-A1 Substituted pyrrolidine and related compounds CHRM1, CHRM5, CHRM2 TDP1 2309/4885CA14 4373/4885HDAC6 2001/4885
US-20040254219-A1 Substituted pyrrolidine and related compounds CHRM1, CHRM5, ADRA1D TDP1 1484/4885CA14 4008/4885HDAC6 2471/4885
US-20250032623-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE AURKB, CDK9, AURKA TDP1 1293/4885CA14 3541/4885HDAC6 104/4885
US-20070078163-A1 Substituted pyrrolidine and related compounds CHRM1, CHRM5, CHRM2 TDP1 2309/4885CA14 4373/4885HDAC6 2001/4885

“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.