SCHEMBL4889901

SCHEMBL4889901

CN1[C@@H]2C=C[C@H]1C[C@H](CC(=O)Oc1cccc(C3CCCC3)c1O)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
CHRM1 P11229 2/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
DRD1 P21728 1/20 0.35
TBXA2R P21731 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
KCNH2 Q12809 1/20 0.35
HPGD P15428 4/20 0.35
ACHE P22303 2/20 0.35
CHRM2 P08172 1/20 0.35

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
SCHEMBL5145288 0.78 SLC6A2 (0.40) PTGDR2CHRM1USP2CYP1A2HTR1A
SCHEMBL6180467 0.76 CHRM2 (0.37) CHRM1CYP1A2CYP2D6CYP2C9DRD3
SCHEMBL5116052 0.75 DRD2 (0.51) ACHEMEN1KMT2ADRD2DRD4
SCHEMBL3681668 0.75 PTGDR2 (0.46) PTGDR2CHRM1USP2CYP1A2HTR1A
SCHEMBL4889902 0.74 ALDH1A1 (0.34) PTGDR2CHRM1ADRA1AOPRM1HPGD
SCHEMBL5115681 0.73 TACR3 (0.52) L3MBTL1DRD2DRD4RBP4
SCHEMBL1791821 0.67 PTGDR2 (0.56) PTGDR2CHRM1USP2CYP1A2HTR1A
SCHEMBL1790163 0.66 PTGDR2 (0.58) PTGDR2CHRM1USP2CYP1A2HTR1A
SCHEMBL28913431 0.64 PTGDR2 (0.41) PTGDR2
SCHEMBL4960831 0.64 PTPN5 (0.44) PTGDR2HTR1AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027094-A1 Tropane Compounds and Pharmaceutical Compositions Comprising the Same as an Active Ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-31 US disclosed
EP-1785421-A1 TROPAN COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP 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 (1 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-20080027094-A1 Tropane Compounds and Pharmaceutical Compositions Comprising the Same as an Active Ingredient CHRM1, CHRM3, CHRM2 PTGDR2 421/4885CHRM1 1/4885USP2 2873/4885

“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.