SCHEMBL5652849

SCHEMBL5652849

CC(C)(C)N(C(=O)O)[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
GRIN2B Q13224 2/20 0.42
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
OPRM1 P35372 1/20 0.40
ACHE P22303 1/20 0.40
BCHE P06276 1/20 0.40
KDM4E B2RXH2 1/20 0.40
FUCA1 P04066 2/20 0.40

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
SCHEMBL66496 1.00 BRD4 (0.43) BRD4GRIN2BS1PR1S1PR5OPRM1
SCHEMBL3527474 0.85 GRIN2B (0.45) BRD4GRIN2BS1PR1S1PR5OPRM1
SCHEMBL2692741 0.82 S1PR5 (0.47) GRIN2BS1PR1S1PR5OPRM1ACHE
SCHEMBL2692744 0.82 S1PR5 (0.47) GRIN2BS1PR1S1PR5OPRM1ACHE
SCHEMBL2692748 0.82 S1PR5 (0.47) GRIN2BS1PR1S1PR5OPRM1ACHE
SCHEMBL3617880 0.82 S1PR5 (0.47) GRIN2BS1PR1S1PR5OPRM1ACHE
SCHEMBL16498046 0.80 CACNA1B (0.39) GRIN2BBCHEKDM4E
SCHEMBL16053729 0.79 ALDH1A1 (0.38) BRD4S1PR1S1PR5OPRM1ACHE
SCHEMBL19100375 0.78 GBA1 (0.51) GRIN2BS1PR1S1PR5OPRM1ACHE
SCHEMBL19063783 0.78 GBA1 (0.51) GRIN2BS1PR1S1PR5OPRM1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270417-A1 Antibacterial Agents GLAXO GROUP LIMITED (GB) 2007-11-22 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-20070270417-A1 Antibacterial Agents NQO2, NQO1, NDUFV2 BRD4 340/4885GRIN2B 4649/4885S1PR1 4479/4885

“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.