SCHEMBL5873668

SCHEMBL5873668

CC(C)(C)C(=O)NC1CCN(c2ccc3cc(C(=N)NO)ccc3n2)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.44
HRH3 Q9Y5N1 2/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
PDE10A Q9Y233 5/20 0.41
BTK Q06187 1/20 0.38
MAP4K4 O95819 2/20 0.38
HPGDS O60760 2/20 0.37
KDM5A P29375 1/20 0.36

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
SCHEMBL5873627 0.80 HRH3 (0.52) MCHR1HRH3CKS1BSKP1SKP2
SCHEMBL5873487 0.75 MCHR1 (0.57) MCHR1
SCHEMBL5873574 0.71 MAP4K4 (0.61) MCHR1CKS1BSKP1SKP2PDE10A
SCHEMBL5873638 0.71 MCHR1 (0.85) MCHR1
SCHEMBL5873513 0.71 MCHR1 (0.85) MCHR1
SCHEMBL5873581 0.71 MCHR1 (0.85) MCHR1
SCHEMBL29689781 0.71 PDE10A (0.58) MCHR1CKS1BSKP1SKP2PDE10A
SCHEMBL22499904 0.71 PDE10A (0.58) MCHR1CKS1BSKP1SKP2PDE10A
SCHEMBL5873546 0.70 MCHR1 (0.56) MCHR1
SCHEMBL23387218 0.70 MCHR1 (0.48) MCHR1HRH3PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084156-B2 2-Aminoquinoline compounds MERCK & CO., INC. (US) 2006-08-01 US disclosed
US-20050026915-A1 2-Aminoquinoline compounds MERCK SHARP & DOHME CORP. 2005-02-03 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-20050026915-A1 2-Aminoquinoline compounds MCHR1, MCHR2, MC5R MCHR1 1/4885HRH3 445/4885CKS1B 2663/4885

“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.