SCHEMBL4022613

SCHEMBL4022613

CN(CCCCCCCCOS(=O)(=O)Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.55
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ATM Q13315 1/20 0.49
MAOB P27338 5/20 0.48
MAOA P21397 3/20 0.48
ACHE P22303 6/20 0.48
LMNA P02545 1/20 0.47
BCHE P06276 1/20 0.46

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
SCHEMBL4022604 0.82 MEN1 (0.51) SIGMAR1MEN1KMT2AATMMAOB
SCHEMBL5867104 0.81 LMNA (0.56) SIGMAR1MEN1KMT2AATMMAOB
SCHEMBL2230470 0.79 HPGD (0.50) KMT2ALMNA
SCHEMBL15543392 0.79 HPGD (0.50) KMT2ALMNA
SCHEMBL57428 0.79 HPGD (0.50) KMT2ALMNA
SCHEMBL7784231 0.79 HPGD (0.50) KMT2ALMNA
SCHEMBL7784180 0.79 HPGD (0.50) KMT2ALMNA
SCHEMBL7787201 0.79 HPGD (0.50) KMT2ALMNA
SCHEMBL7783839 0.79 HPGD (0.50) KMT2ALMNA
SCHEMBL3140142 0.79 HPGD (0.50) KMT2ALMNA

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 12 patents. 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 disclosed
US-7615566-B2 Substituted pyrrolidine and related compounds THERAVANCE, INC. (US) 2009-11-10 US disclosed
US-7524880-B2 Crystalline form of a substituted pyrrolidine compound THERAVANCE, INC. (US) 2009-04-28 US disclosed
US-20080161577-A1 Substituted pyrrolidine and related compounds THERAVANCE BIOPHARMA R&D IP, LLC 2008-07-03 US disclosed
US-20080146649-A1 Substituted pyrrolidine and related compounds THERAVANCE BIOPHARMA R&D IP, LLC 2008-06-19 US disclosed
US-7351718-B2 Substituted pyrrolidine and related compounds THERAVANCE, INC. (US) 2008-04-01 US disclosed
US-7351717-B2 Substituted pyrrolidine and related compounds THERAVANCE, INC. (US) 2008-04-01 US disclosed
US-20070135482-A1 Substituted pyrrolidine and related compounds THERAVANCE BIOPHARMA R&D IP, LLC 2007-06-14 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
US-20050277688-A1 Crystalline form of a substituted pyrrolidine compound THERAVANCE, INC. 2005-12-15 US 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 (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-20070135482-A1 Substituted pyrrolidine and related compounds CHRM1, CHRM5, CHRM2 SIGMAR1 264/4885MEN1 1247/4885KMT2A 2879/4885
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 SIGMAR1 1865/4885MEN1 3023/4885KMT2A 2699/4885
US-20080161577-A1 Substituted pyrrolidine and related compounds CHRM1, CHRM5, CHRM2 SIGMAR1 264/4885MEN1 1247/4885KMT2A 2879/4885
US-20040254219-A1 Substituted pyrrolidine and related compounds CHRM1, CHRM5, ADRA1D SIGMAR1 151/4885MEN1 1069/4885KMT2A 3243/4885
US-20080146649-A1 Substituted pyrrolidine and related compounds CHRM1, CHRM5, CHRM2 SIGMAR1 264/4885MEN1 1247/4885KMT2A 2879/4885
US-20070078163-A1 Substituted pyrrolidine and related compounds CHRM1, CHRM5, CHRM2 SIGMAR1 264/4885MEN1 1247/4885KMT2A 2879/4885

“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.