SCHEMBL13299286

SCHEMBL13299286

CCN(NC(=O)C(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.36
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL24029495 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL27842117 0.76 KDM4E (0.38) CNR2ALDH1A1SMN1; SMN2
SCHEMBL26841600 0.76 HDAC8 (0.31)
SCHEMBL29005993 0.74 KDM4E (0.37) CNR2ALDH1A1SMN1; SMN2
SCHEMBL5018135 0.70 ALDH1A1 (0.31) ALDH1A1
SCHEMBL13993531 0.69 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL10772034 0.68 CNR2 (0.33) CNR2
SCHEMBL155006 0.67
SCHEMBL21101112 0.64
SCHEMBL13594990 0.64 CNR2 (0.36) CNR2ALDH1A1

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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 CNR2 4734/4885ALDH1A1 4062/4885SMN1; SMN2 4857/4885

“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.