SCHEMBL5873711

SCHEMBL5873711

CC(C)(C)OC(=O)NC1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.55
MAP4K4 O95819 2/20 0.52
ALDH1A1 P00352 2/20 0.49
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
SLC6A4 P31645 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
SUV39H2 Q9H5I1 9/20 0.48
LMNA P02545 1/20 0.48
PMP22 Q01453 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
DRD2 P14416 1/20 0.47
HTR1A P08908 1/20 0.44

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
SCHEMBL5873574 0.85 MAP4K4 (0.61) PDE10AMAP4K4SUV39H2
SCHEMBL29689781 0.85 PDE10A (0.58) PDE10AMAP4K4SUV39H2
SCHEMBL22499904 0.85 PDE10A (0.58) PDE10AMAP4K4SUV39H2
SCHEMBL1091477 0.84 MAPT (0.54) PDE10AMAP4K4ALDH1A1SUV39H2LMNA
SCHEMBL1091187 0.84 MAPT (0.54) PDE10AMAP4K4ALDH1A1SUV39H2LMNA
SCHEMBL1091189 0.84 MAPT (0.54) PDE10AMAP4K4ALDH1A1SUV39H2LMNA
SCHEMBL24166014 0.80 MAP4K4 (0.59) PDE10AMAP4K4SUV39H2
SCHEMBL2126251 0.80 MAP4K4 (0.57) PDE10AMAP4K4SUV39H2
SCHEMBL2143634 0.80 MAP4K4 (0.57) PDE10AMAP4K4SUV39H2
SCHEMBL29647987 0.80 DRD2 (0.46) PDE10AMAP4K4SUV39H2DRD2

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 PDE10A 1245/4885MAP4K4 1963/4885ALDH1A1 460/4885

“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.