SCHEMBL3149019

SCHEMBL3149019

CC(C)(C)OC(=O)CC1(CC(=O)O)CC2CCCCC21

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
EPHX1 P07099 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
SCHEMBL6733425 0.97 CYP1A2 (0.32) CYP1A2
SCHEMBL3157476 0.86 EPHX2 (0.32) EPHX1
SCHEMBL13451214 0.84 CYP1A2 (0.37) CYP1A2
SCHEMBL3151613 0.84 CYP1A2 (0.37) CYP1A2
SCHEMBL3258056 0.81 CYP1A2 (0.37) CYP1A2
SCHEMBL3165427 0.81 CYP1A2 (0.37) CYP1A2
SCHEMBL3147169 0.81 CYP1A2 (0.37) CYP1A2
SCHEMBL3155917 0.74 CYP1A2 (0.38) CYP1A2
SCHEMBL3156734 0.74 CYP1A2 (0.38) CYP1A2
SCHEMBL3159851 0.74 CYP1A2 (0.38) CYP1A2

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
EP-1379494-B1 FUSED BICYCLIC OR TRICYCLIC AMINO ACIDS WARNER LAMBERT CO (US) 2010-03-10 EP disclosed
US-20040092591-A1 Therapeutic use of fused bicyclic or tricyclic amino acids BLAKEMORE DAVID CLIVE (GB) 2004-05-13 US disclosed
US-6596900-B2 Brain, nervous system, neurodegenerative, gastrointestinal, sleep, rheumatic, and psychological disorders; analgesics, antiepileptic agents PFIZER INC 2003-07-22 US disclosed
US-20030078300-A1 Fused bicyclic or tricyclic amino acids PFIZER INC. 2003-04-24 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-20030078300-A1 Fused bicyclic or tricyclic amino acids AADAT, SLC1A2, BCAT1 CYP1A2 966/4885EPHX1 2158/4885
US-20040092591-A1 Therapeutic use of fused bicyclic or tricyclic amino acids BCAT1, BCAT2, AADAT CYP1A2 2278/4885EPHX1 3685/4885

“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.