SCHEMBL969128

SCHEMBL969128

CC1(C)CCc2c(/C=C3\SC(=O)NC3=O)c(O)c3c(c2O1)C1CCC3C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 2/20 0.38
CCR5 P51681 1/20 0.37
IGF1R P08069 4/20 0.34
HPGD P15428 3/20 0.34
GSK3B P49841 2/20 0.34
AKR1B1 P15121 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CISD1 Q9NZ45 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PIM1 P11309 2/20 0.32
PIM2 Q9P1W9 2/20 0.32
RXRA P19793 1/20 0.31
CDC7 O00311 1/20 0.31
DAPK3 O43293 1/20 0.31
DYRK3 O43781 1/20 0.31
MAP4K4 O95819 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
SCHEMBL969129 1.00 NAT1 (0.38) NAT1CCR5IGF1RHPGDGSK3B
SCHEMBL969245 0.73 TOP1 (0.43) CCR5RAB9A
SCHEMBL969244 0.73 TOP1 (0.43) CCR5RAB9A
SCHEMBL968977 0.71 CCR5 (0.41) CCR5PTGS1PTGS2
SCHEMBL968854 0.71 CCR5 (0.32) CCR5
SCHEMBL968853 0.71 CCR5 (0.32) CCR5
SCHEMBL969062 0.69 CCR5 (0.40) CCR5
SCHEMBL971855 0.69 CCR5 (0.40) CCR5HPGD
SCHEMBL968071 0.69 CCR5 (0.40) CCR5PTGS1PTGS2
SCHEMBL969048 0.69 CCR5 (0.39) 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 NAT1 1794/4885CCR5 3955/4885IGF1R 1333/4885
US-20090170814-A1 7,8-BICYCLOAKYL-CHROMAN DERIVATIVES COQ8A, TFAM, CS NAT1 2355/4885CCR5 2287/4885IGF1R 4170/4885

“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.