SCHEMBL448132

SCHEMBL448132

CC1(CO)Cc2ccc(Br)cc2C(O)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.36
OPRK1 P41145 2/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
PNMT P11086 4/20 0.33
OPRD1 P41143 1/20 0.33
APP P05067 2/20 0.33
BACE1 P56817 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
KDM1A O60341 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
SCHEMBL9732996 0.84 OPRM1 (0.44) OPRM1OPRK1HTR2AHTR2CHTR2B
SCHEMBL29122626 0.71 HTR2A (0.39) OPRM1OPRK1HTR2AHTR2CHTR2B
SCHEMBL10511630 0.71 PGR (0.41) OPRM1OPRK1HTR2AHTR2CHTR2B
SCHEMBL9733062 0.70 HTR2A (0.38) OPRM1OPRK1HTR2AHTR2CHTR2B
SCHEMBL448438 0.69 ESR1 (0.37) ALDH1A1
SCHEMBL6493913 0.68 PGR (0.47) OPRM1OPRK1HTR2AHTR2CHTR2B
SCHEMBL4439441 0.68 GAA (0.34) OPRM1OPRD1BACE1
SCHEMBL13600355 0.68 GAA (0.34) OPRM1OPRD1BACE1
SCHEMBL3638981 0.65 HTR2A (0.46) OPRM1OPRK1HTR2AHTR2CHTR2B
SCHEMBL1576024 0.65 HTR2A (0.46) OPRM1OPRK1HTR2AHTR2CHTR2B

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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
WO-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 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 (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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 OPRM1 4752/4885OPRK1 2894/4885HTR2A 2942/4885

“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.