SCHEMBL968398

SCHEMBL968398

CC(=O)Oc1c(CCC(C)C)c2c(c3c1C1CCC3C1)OC(C)(C)CC2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4A P27815 1/20 0.40
PDE3A Q14432 1/20 0.40
TTPA P49638 2/20 0.38
PSEN1 P49768 1/20 0.31
PTPN1 P18031 1/20 0.30
GSTO1 P78417 1/20 0.30
CCR5 P51681 1/20 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
SCHEMBL969716 0.83 NUDT1 (0.38) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL969673 0.82 CCR5 (0.36) MEN1KMT2ATTPACCR5
SCHEMBL967758 0.77 CCR5 (0.38) MEN1KMT2ATTPACCR5
SCHEMBL969062 0.69 CCR5 (0.40) CCR5
SCHEMBL968657 0.67 PDE9A (0.41) MEN1KMT2APTPN1CCR5
SCHEMBL971855 0.67 CCR5 (0.40) PTPN1CCR5
SCHEMBL968325 0.66 CCR5 (0.36) CCR5
SCHEMBL969048 0.66 CCR5 (0.39) CCR5
SCHEMBL5774081 0.65 TTPA (0.49) MEN1KMT2APDE4APDE3ATTPA
SCHEMBL5796245 0.65 MAPT (0.49) MEN1KMT2APDE4APDE3ATTPA

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 MEN1 3426/4885KMT2A 4705/4885PDE4A 2389/4885
US-20090170814-A1 7,8-BICYCLOAKYL-CHROMAN DERIVATIVES COQ8A, TFAM, CS MEN1 3900/4885KMT2A 4264/4885PDE4A 1421/4885

“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.