SCHEMBL4135152

SCHEMBL4135152

COC(=O)[C@H]1CCC[C@@H]1CO

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM3 P20309 1/20 0.43
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 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
SCHEMBL4135157 1.00 CHRM2 (0.43) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL4135155 1.00 CHRM2 (0.43) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL7318569 1.00 CHRM2 (0.43) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL30472636 0.96 SLC6A2 (0.40) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL30472587 0.96 SLC6A2 (0.40) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL1934486 0.96 SLC6A2 (0.40) CHRM2CHRM4CHRM3SLC6A2SLC6A4
SCHEMBL228642 0.88 CHRM2 (0.42) CHRM2CHRM4CHRM3TSHR
SCHEMBL17718015 0.88 CHRM2 (0.42) CHRM2CHRM4CHRM3TSHR
SCHEMBL16699878 0.88 CHRM2 (0.42) CHRM2CHRM4CHRM3TSHR
SCHEMBL228643 0.88 CHRM2 (0.42) CHRM2CHRM4CHRM3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
EP-1740547-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-01-10 EP disclosed
US-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 US disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US disclosed
WO-2005100321-A1 PGD2 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-27 WO disclosed
US-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 US disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 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 (3 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-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 CHRM2 4355/4885CHRM4 4445/4885CHRM3 4307/4885
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 CHRM2 1272/4885CHRM4 2430/4885CHRM3 1330/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 CHRM2 1272/4885CHRM4 2430/4885CHRM3 1330/4885

“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.