SCHEMBL4492008

SCHEMBL4492008

CC(=O)N(C)[C@@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.55
ALDH1A1 P00352 2/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
SLC6A4 P31645 1/20 0.54
CYP2C19 P33261 1/20 0.54
THPO P40225 1/20 0.54
HTR3A P46098 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
LMNA P02545 1/20 0.52
PMP22 Q01453 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HTR1A P08908 7/20 0.49
RHOA P61586 1/20 0.43
PDE10A Q9Y233 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
SCHEMBL4492012 1.00 MAP4K4 (0.55) MAP4K4ALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL4477344 0.92 ALDH1A1 (0.54) MAP4K4ALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL4477340 0.92 ALDH1A1 (0.54) MAP4K4ALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL4479170 0.89 ALDH1A1 (0.51) MAP4K4ALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL4475317 0.89 ALDH1A1 (0.52) MAP4K4ALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL4475318 0.89 ALDH1A1 (0.52) MAP4K4ALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL4479172 0.89 ALDH1A1 (0.51) MAP4K4ALDH1A1HTR3EHTR3BCYP1A2
SCHEMBL4477101 0.84 ALDH1A1 (0.54) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
SCHEMBL4477102 0.84 ALDH1A1 (0.54) ALDH1A1HTR3EHTR3BCYP1A2CYP3A4
SCHEMBL1749521 0.78 MCHR1 (0.54) ALDH1A1CYP2C19LMNA

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-7485647-B2 2-aminoquinoline derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-02-03 US disclosed
US-20060287340-A1 2-Aminoquinoline derivatives MSD K.K. (JP) 2006-12-21 US disclosed
EP-1630162-A1 2-AMINOQUINOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-03-01 EP 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-20060287340-A1 2-Aminoquinoline derivatives MCHR2, MC2R, MCHR1 MAP4K4 1502/4885ALDH1A1 1932/4885HTR3E 88/4885

“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.