SCHEMBL4016773

SCHEMBL4016773

COC(CCCCCCC=O)OC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
FAAH O00519 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
HIF1A Q16665 1/20 0.39
SMPD1 P17405 3/20 0.31
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1008818 1.00 TSHR (0.46) TSHRFAAHTRPV1HIF1ASMPD1
SCHEMBL2494420 1.00 TSHR (0.46) TSHRFAAHTRPV1HIF1ASMPD1
SCHEMBL1367335 0.98 TSHR (0.42) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL198865 0.91 HIF1A (0.43) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL11045965 0.89 TSHR (0.38) TSHRFAAHTRPV1HIF1AUSP2
SCHEMBL1153789 0.80
SCHEMBL19287199 0.80 TSHR (0.44) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL7934735 0.80 SMPD1 (0.36) SMPD1
SCHEMBL7934687 0.80 SMPD1 (0.36) SMPD1
SCHEMBL5160133 0.80 SMPD1 (0.36) SMPD1

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 15 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
EP-1633707-A1 1- (ALKYLAMINOALKYL-PYROLIDIN-/PIPERIDINYL) -2, 2-DIPHENYLACETAMIDE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Theravance, Inc. (US) 2006-03-15 EP disclosed
WO-2005123670-A2 CRYSTALLINE FORM OF A SUBSTITUTED PYRROLIDINE COMPOUND THERAVANCE, INC. (US) 2005-12-29 WO 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 (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 TSHR 85/4885FAAH 1667/4885TRPV1 263/4885
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 TSHR 3973/4885FAAH 3619/4885TRPV1 1117/4885
US-20080161577-A1 Substituted pyrrolidine and related compounds CHRM1, CHRM5, CHRM2 TSHR 85/4885FAAH 1667/4885TRPV1 263/4885
US-20040254219-A1 Substituted pyrrolidine and related compounds CHRM1, CHRM5, ADRA1D TSHR 173/4885FAAH 1062/4885TRPV1 360/4885
US-20080146649-A1 Substituted pyrrolidine and related compounds CHRM1, CHRM5, CHRM2 TSHR 85/4885FAAH 1667/4885TRPV1 263/4885
US-20070078163-A1 Substituted pyrrolidine and related compounds CHRM1, CHRM5, CHRM2 TSHR 85/4885FAAH 1667/4885TRPV1 263/4885

“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.