SCHEMBL971855

SCHEMBL971855

COc1c(O)c2c(c3c1CCC(C)(C)O3)C1CCC2C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.40
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
NUDT1 P36639 1/20 0.32
PDE4D Q08499 1/20 0.32
HPGD P15428 1/20 0.32
PDE5A O76074 1/20 0.31
HSP90AA1 P07900 2/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL968977 0.81 CCR5 (0.41) CCR5CYP3A4
SCHEMBL969062 0.79 CCR5 (0.40) CCR5
SCHEMBL969048 0.78 CCR5 (0.39) CCR5
SCHEMBL968222 0.78 CCR5 (0.39) CCR5
SCHEMBL966962 0.76 CYP3A4 (0.44) CCR5TP53CYP3A4
SCHEMBL968071 0.76 CCR5 (0.40) CCR5CYP3A4
SCHEMBL969707 0.75 CCR5 (0.43) CCR5CYP3A4
SCHEMBL967375 0.75 CCR5 (0.42) CCR5PDE4DHPGD
SCHEMBL5772432 0.75 PTGS2 (0.46) CCR5TP53CYP3A4PDE4DHPGD
SCHEMBL969673 0.74 CCR5 (0.36) CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875607-B2 Neurodegenerative disorders; antiinflammatory agents; antiischemic agents; neuropathic pain; antiepileptic agents; Parkinson's disease; Alzheimer's disease; antidiabetic agents; 3-(6-Hydroxy-2-methyl-3,4,7,8,9,10-hexahydro-7,10-methano-2H -benzo[h]chromen-2-yl)-propionic acid methyl ester AMPERE LIFE SCIENCES, INC. (US) 2011-01-25 US disclosed
US-20090170814-A1 7,8-BICYCLOAKYL-CHROMAN DERIVATIVES EDISON PHARMACEUTICALS, INC. (US) 2009-07-02 US disclosed
US-7470798-B2 Neurodegenerative disorders; antiinflammatory agents; strokes; antiischemic agents; neuropathic pain; brain disorders; antiepileptic agents; Parkinson's disease ; amyotropic lateral sclerosis; Alzheimer's disease; antidiabetic agents EDISON PHARMACEUTICALS, INC. (US) 2008-12-30 US disclosed
US-20050065149-A1 Neurodegenerative disorders; antiinflammatory agents; strokes; antiischemic agents; neuropathic pain; brain disorders; antiepileptic agents; Parkinson's disease ; amyotropic lateral sclerosis; Alzheimer's disease; antidiabetic agents PTC THERAPEUTICS, INC. 2005-03-24 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-20050065149-A1 Neurodegenerative disorders; antiinflammatory agents; strokes; antiischemic agents; neuropathic pain; brain disorders; antiepileptic agents; Parkinson's disease ; amyotropic lateral sclerosis; Alzheimer's disease; antidiabetic agents NLN, ACAA2, CS CCR5 3955/4885TP53 3366/4885CYP3A4 1823/4885
US-20090170814-A1 7,8-BICYCLOAKYL-CHROMAN DERIVATIVES COQ8A, TFAM, CS CCR5 2287/4885TP53 620/4885CYP3A4 245/4885

“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.