SCHEMBL969673

SCHEMBL969673

CC(C)CCc1c(O)c2c(c3c1CCC(C)(C)O3)C1CCC2C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
TTPA P49638 2/20 0.35
MEN1 O00255 1/20 0.35
GSTP1 P09211 1/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.35
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NR1I2 O75469 1/20 0.30
AKT1 P31749 2/20 0.30

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
SCHEMBL967758 0.95 CCR5 (0.38) CCR5MAPTLMNATTPAMEN1
SCHEMBL969062 0.84 CCR5 (0.40) CCR5
SCHEMBL968398 0.82 MEN1 (0.40) CCR5TTPAMEN1KMT2A
SCHEMBL968657 0.79 PDE9A (0.41) CCR5MAPTMEN1KMT2A
SCHEMBL969048 0.78 CCR5 (0.39) CCR5
SCHEMBL968325 0.78 CCR5 (0.36) CCR5
SCHEMBL5774081 0.78 TTPA (0.49) CCR5MAPTLMNATTPAMEN1
SCHEMBL968977 0.76 CCR5 (0.41) CCR5
SCHEMBL5796245 0.75 MAPT (0.49) CCR5MAPTLMNATTPAMEN1
SCHEMBL971855 0.74 CCR5 (0.40) 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 5 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
WO-2005033093-A1 7,8-BICYCLOALKYL-CHROMAN DERIVATIVES GALILEO PHARMACEUTICALS, INC. (US) 2005-04-14 WO 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 3955/4885MAPT 258/4885LMNA 1044/4885
US-20090170814-A1 7,8-BICYCLOAKYL-CHROMAN DERIVATIVES COQ8A, TFAM, CS CCR5 2287/4885MAPT 286/4885LMNA 1175/4885

“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.