SCHEMBL13656278

SCHEMBL13656278

CC(C)(C)CCN1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.62
CTSK P43235 2/20 0.51
DRD2 P14416 6/20 0.47
CCR5 P51681 1/20 0.47
DRD3 P35462 2/20 0.47
HSD11B1 P28845 3/20 0.46
CYP2C9 P11712 1/20 0.46
BTK Q06187 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
EPHX1 P07099 2/20 0.43
USP14 P54578 1/20 0.41

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
SCHEMBL30371406 0.89 KCNA3 (0.60) KCNA3CTSKDRD2CCR5DRD3
SCHEMBL26665267 0.87 KCNA3 (0.57) KCNA3CTSKDRD2CCR5DRD3
SCHEMBL12971748 0.87 KCNA3 (0.57) KCNA3CTSKDRD2CCR5DRD3
SCHEMBL619386 0.87 KCNA3 (0.57) KCNA3CTSKDRD2CCR5DRD3
SCHEMBL915957 0.85 KCNA3 (0.56) KCNA3CTSKDRD2CCR5DRD3
SCHEMBL913264 0.85 KCNA3 (0.56) KCNA3CTSKDRD2CCR5DRD3
SCHEMBL26814105 0.85 KCNA3 (0.56) KCNA3CTSKDRD2CCR5DRD3
SCHEMBL7222795 0.85 KCNA3 (0.56) KCNA3CTSKDRD2CCR5DRD3
SCHEMBL913704 0.85 KCNA3 (0.56) KCNA3CTSKDRD2CCR5DRD3
SCHEMBL3108831 0.85 KCNA3 (0.56) KCNA3CTSKDRD2CCR5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295903-A1 FLAVIN DERIVATIVES BLOUNT KENNETH F (US) 2012-11-22 US disclosed
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 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-20120295903-A1 FLAVIN DERIVATIVES BLVRB, FLAD1, FDPS KCNA3 2455/4885CTSK 4784/4885DRD2 2820/4885

“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.