SCHEMBL4918912

SCHEMBL4918912

CC(C)[C@@H]1CC[C@@H](C)C[C@]1(C)O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.33
TRPM8 Q7Z2W7 2/20 0.33
MAPT P10636 1/20 0.31
HSD11B1 P28845 4/20 0.30

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
SCHEMBL17244697 1.00 TRPA1 (0.33) TRPA1TRPM8MAPTHSD11B1
SCHEMBL12671701 1.00 TRPA1 (0.33) TRPA1TRPM8MAPTHSD11B1
SCHEMBL11677336 1.00 TRPA1 (0.33) TRPA1TRPM8MAPTHSD11B1
SCHEMBL1870837 0.80 TRPA1 (0.34) TRPA1TRPM8
SCHEMBL14515122 0.80 TRPA1 (0.34) TRPA1TRPM8MAPT
Ethane SCHEMBL17237502 0.78 TRPA1 (0.33) TRPA1TRPM8
Methane SCHEMBL3445491 0.78 TRPA1 (0.33) TRPA1TRPM8
Ethane SCHEMBL3445506 0.78 TRPA1 (0.33) TRPA1TRPM8
Methane SCHEMBL5185768 0.78 TRPA1 (0.33) TRPA1TRPM8
SCHEMBL21305377 0.77 TRPA1 (0.31) TRPA1TRPM8

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8471067-B2 Stereoselective preparation of P-chiral four-co-ordinated phosphorus compound (o-Tolylphenylmethylphosphine oxide) by reacting chiral alcohol, chiral amine or chiral thiol, with P-chiral three-co-ordinated phosphorus compound, in presence of electrophile UNIVERSITY COLLEGE DUBLIN (IE) 2013-06-25 US claimed
US-20080255391-A1 Chiral Phosphorus Compounds UNIVERSITY COLLEGE DUBLIN NATIONAL UNIVERSITY OF IRELAND (IE) 2008-10-16 US claimed
EP-2855421-B1 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 3,3-DIPHENYLPROPYLAMINES CRYSTAL PHARMA SAU (ES) 2018-03-21 EP disclosed
US-9422228-B2 Process for the preparation of optically pure fesoterodine derivatives CRYSTAL PHARMA, S.A.U. (ES) 2016-08-23 US disclosed
EP-2855421-A2 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 3,3-DIPHENYLPROPYLAMINES Crystal Pharma S.A.U (ES) 2015-04-08 EP disclosed
US-20150094485-A1 PROCESS FOR THE PREPARATION OF OPTICALLY PURE FESOTERODINE DERIVATIVES CURIA SPAIN, S.A.U. (ES) 2015-04-02 US disclosed
WO-2013113946-A2 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 3,3-DIPHENYLPROPYLAMINES CRYSTAL PHARMA, S.A.U. (ES) 2013-08-08 WO disclosed
US-8471067-B2 Stereoselective preparation of P-chiral four-co-ordinated phosphorus compound (o-Tolylphenylmethylphosphine oxide) by reacting chiral alcohol, chiral amine or chiral thiol, with P-chiral three-co-ordinated phosphorus compound, in presence of electrophile UNIVERSITY COLLEGE DUBLIN (IE) 2013-06-25 US disclosed
US-20080255391-A1 Chiral Phosphorus Compounds UNIVERSITY COLLEGE DUBLIN NATIONAL UNIVERSITY OF IRELAND (IE) 2008-10-16 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 (2 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-20080255391-A1 Chiral Phosphorus Compounds PHOSPHO1, PNKP, PTMS TRPA1 756/4885TRPM8 3854/4885MAPT 2418/4885
US-20150094485-A1 PROCESS FOR THE PREPARATION OF OPTICALLY PURE FESOTERODINE DERIVATIVES ADH1C, NISCH, ADH1A TRPA1 1219/4885TRPM8 2981/4885MAPT 916/4885

“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.