SCHEMBL175026

SCHEMBL175026

Cc1noc(C2CCCN2C(=O)c2cccc(C(=O)O)c2)n1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.59
HCRTR1 O43613 6/20 0.53
HCRTR2 O43614 5/20 0.53
CPT1A P50416 1/20 0.50
CPT1B Q92523 1/20 0.50

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
SCHEMBL174578 0.89 GRM5 (0.56) GRM5HCRTR1HCRTR2
SCHEMBL166646 0.81 CHRNB2 (0.50) GRM5HCRTR1HCRTR2
SCHEMBL164387 0.76 PARP14 (0.60)
SCHEMBL166687 0.76 CPT2 (0.50) GRM5CPT1ACPT1B
SCHEMBL164419 0.76 CPT2 (0.50) GRM5CPT1ACPT1B
SCHEMBL11740531 0.76 GRM5 (0.71) GRM5HCRTR1HCRTR2
SCHEMBL17069015 0.76 HCRTR1 (0.46) GRM5HCRTR1HCRTR2
SCHEMBL165920 0.76 ROCK2 (0.48) GRM5
SCHEMBL167401 0.75 ROCK2 (0.46) CPT1ACPT1B
SCHEMBL165005 0.75 SCD (0.55)

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
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 EP disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 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 (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-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 GRM5 3723/4885HCRTR1 2091/4885HCRTR2 529/4885

“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.