SCHEMBL3751027

SCHEMBL3751027

CCOC(=O)C(C)C1CC2(CCNCC2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
SLC6A2 P23975 4/20 0.37
SLC6A3 Q01959 4/20 0.37
SLC6A4 P31645 3/20 0.37
SIGMAR1 Q99720 2/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 1/20 0.35
LPAR1 Q92633 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL1223249 0.83 OPRM1 (0.44) OPRM1SLC6A2SLC6A3SLC6A4
SCHEMBL3750678 0.82 ALDH1A1 (0.44) SIGMAR1HTTCYP3A4ALDH1A1
SCHEMBL8106137 0.80 OPRM1 (0.46) OPRM1SIGMAR1HTTTDP1MAPT
Hydrochloric Acid SCHEMBL8316273 0.79 OPRM1 (0.45) OPRM1SIGMAR1HTTTDP1MAPT
SCHEMBL9391014 0.78 OPRM1 (0.44) OPRM1SIGMAR1HTTTDP1ALDH1A1
SCHEMBL3742443 0.78 KMT2A (0.43) HTTALDH1A1L3MBTL1
SCHEMBL3752153 0.77 POLB (0.50) HTTALDH1A1MAPT
SCHEMBL12084784 0.77 OPRM1 (0.43) OPRM1SLC6A4HTTTDP1
SCHEMBL652661 0.77 OPRM1 (0.43) OPRM1SLC6A4HTTTDP1
SCHEMBL3746848 0.76 OPRM1 (0.43) OPRM1SIGMAR1HTTTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298368-A1 ANTAGONISTS OF PGD2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-11-25 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 (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-20100298368-A1 ANTAGONISTS OF PGD2 RECEPTORS PTGDR2, PTGDR, LTB4R2 OPRM1 577/4885SLC6A2 4049/4885SLC6A3 4738/4885

“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.