SCHEMBL4269296

SCHEMBL4269296

CC(C)(C)OC(=O)NC1CCN(CCc2ccc(N)cc2Cl)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.51
DRD2 P14416 8/20 0.50
DRD3 P35462 2/20 0.50
CCR5 P51681 1/20 0.44
USP14 P54578 1/20 0.43
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HTR4 Q13639 3/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL13419738 0.81 ALDH1A1 (0.56) KCNA3DRD2DRD3CKS1BSKP1
SCHEMBL4272900 0.79 KCNA3 (0.49) KCNA3DRD2DRD3CCR5USP14
SCHEMBL27226915 0.78 SIGMAR1 (0.59) KCNA3DRD2DRD3KMT2AL3MBTL1
SCHEMBL4700826 0.78 PARP1 (0.50) KCNA3DRD2DRD3HDAC3HDAC1
SCHEMBL20227779 0.77 NR1H2 (0.55) KCNA3DRD2UBE2MDCUN1D1
SCHEMBL29998921 0.77 NR1H2 (0.55) KCNA3DRD2UBE2MDCUN1D1
SCHEMBL22928915 0.77 KCNA3 (0.66) KCNA3DRD2DRD3CCR5CKS1B
SCHEMBL30915133 0.76 DRD2 (0.52) KCNA3DRD2DRD3CCR5CKS1B
SCHEMBL30981429 0.76 KCNA3 (0.54) KCNA3DRD2DRD3CCR5USP14
SCHEMBL30902424 0.76 DRD2 (0.49) KCNA3DRD2DRD3CCR5HTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605176-B2 β-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-20 US disclosed
EP-1730130-A1 BETA-KETOAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING SAID COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2006-12-13 EP disclosed
US-20050245500-A1 Beta-ketoamide compounds with MCH antagonistic activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 US disclosed
WO-2005085221-A1 BETA-KETOAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 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-20050245500-A1 Beta-ketoamide compounds with MCH antagonistic activity MCHR2, MCHR1, NPY1R KCNA3 401/4885DRD2 619/4885DRD3 981/4885

“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.