SCHEMBL10026552

SCHEMBL10026552

CC(C)c1cc(-c2ccc(F)cc2)cc(C(C)C)c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.68
CA2 P00918 2/20 0.68
GABRA1 P14867 6/20 0.47
GABRB1 P18505 5/20 0.47
GABRB2 P47870 3/20 0.47
FAAH O00519 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
GABRG2 P18507 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
HTR2C P28335 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
HTR2B P41595 1/20 0.45
GABRA2 P47869 1/20 0.45

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
SCHEMBL22888675 0.91 CA1 (0.55) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL9512239 0.89 CA1 (0.53) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL9514348 0.84 CA1 (0.47) CA1CA2GABRA1GABRB1LMNA
SCHEMBL3812448 0.83 CA1 (0.74) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL10026565 0.83 CA1 (0.74) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL275427 0.82 CA1 (1.00) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL15445309 0.82 CA1 (0.71) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL10026544 0.82 CA1 (0.71) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL15176931 0.82 CA1 (0.71) CA1CA2GABRA1GABRB1GABRB2
SCHEMBL15943578 0.80 CA1 (0.68) CA1CA2GABRA1GABRB1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373605-B1 COMPOUNDS FOR USE IN THE TREATMENT OF PAIN UNIV DUNDEE (GB) 2014-08-13 EP disclosed
US-8507724-B2 Compounds for use in the treatment of pain THE UNIVERSITY OF DUNDEE (GB) 2013-08-13 US disclosed
US-8507724-B2 Compounds for use in the treatment of pain THE UNIVERSITY OF DUNDEE (GB) 2013-08-13 US disclosed
US-20120029235-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PAIN THE UNIVERSITY OF DUNDEE (GB) 2012-02-02 US disclosed
US-20120029235-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PAIN THE UNIVERSITY OF DUNDEE (GB) 2012-02-02 US disclosed
WO-2010067069-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PAIN THE UNIVERSITY OF LIVERPOOL (GB) 2010-06-17 WO 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 (1 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-20120029235-A1 COMPOUNDS FOR USE IN THE TREATMENT OF PAIN OPRL1, OPRK1, OPRD1 CA1 2482/4885CA2 1708/4885GABRA1 84/4885

“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.