SCHEMBL4783739

SCHEMBL4783739

CN(C)CCN(C)c1n[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
HPGD P15428 1/20 0.50
CNR2 P34972 3/20 0.46
CDK2 P24941 1/20 0.43
CNR1 P21554 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
POLB P06746 2/20 0.40
MAOB P27338 1/20 0.40
NOS1 P29475 1/20 0.40
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
KMT2A Q03164 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39

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
SCHEMBL4989156 0.84 MAPT (0.45) MAPTHPGDCNR2CDK2CNR1
SCHEMBL16215476 0.84 MAPT (0.57) MAPTHPGDCNR2CDK2CNR1
SCHEMBL4784577 0.82 MAPT (0.51) MAPTHPGDCNR2CDK2CNR1
SCHEMBL4994251 0.81 MAPT (0.47) MAPTHPGDCNR2CDK2CNR1
SCHEMBL4985168 0.80 CDK2 (0.49) MAPTHPGDCNR2CDK2CNR1
SCHEMBL4781566 0.78 MAPT (0.44) MAPTHPGDCNR2CDK2CNR1
SCHEMBL14173429 0.78 CDK2 (0.52) MAPTHPGDCNR2CDK2CNR1
SCHEMBL11419219 0.77 MAPT (0.53) MAPTHPGDCNR2CDK2CNR1
SCHEMBL4783573 0.77 GSK3B (0.44) MAPTHPGDCDK2ALDH1A1MEN1
SCHEMBL4782717 0.76 TERT (0.52) MAPTHPGDCNR2CDK2CNR1

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-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
US-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-26 US disclosed
WO-2008061109-A2 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO disclosed
WO-2008061109-A2 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 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-20080153810-A1 INDAZOLE DERIVATIVES USEFUL AS MELANIN CONCENTRATING RECEPTOR LIGANDS MCHR1, MCHR2, MC1R MAPT 1651/4885HPGD 730/4885CNR2 266/4885

“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.