SCHEMBL6704152

SCHEMBL6704152

NCCc1ccc(CN2CCCC2)cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
MAPT P10636 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
HRH3 Q9Y5N1 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
HTT P42858 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
SCHEMBL5238051 0.89 L3MBTL1 (0.55) L3MBTL1MAPTTDP1MAPK1NPSR1
SCHEMBL6202437 0.88 ALDH1A1 (0.56) L3MBTL1MAPTMEN1KMT2AALDH1A1
SCHEMBL6708138 0.83 L3MBTL1 (0.50) L3MBTL1MAPTTDP1MAPK1NPSR1
SCHEMBL16054847 0.81 L3MBTL1 (0.61) L3MBTL1MAPTTDP1MAPK1NPSR1
SCHEMBL1924050 0.80 ALDH1A1 (0.62) L3MBTL1MAPTTDP1MAPK1NPSR1
SCHEMBL15156640 0.80 L3MBTL1 (0.57) L3MBTL1MAPTTDP1MAPK1NPSR1
SCHEMBL7557697 0.79 L3MBTL1 (0.54) L3MBTL1MAPTTDP1MAPK1NPSR1
SCHEMBL5238095 0.78 ALDH1A1 (0.57) L3MBTL1MAPTMEN1KMT2AALDH1A1
SCHEMBL5525074 0.78 ALDH1A1 (0.59) L3MBTL1MAPTTDP1MAPK1NPSR1
SCHEMBL21383091 0.78 L3MBTL1 (0.63) L3MBTL1MAPTTDP1MAPK1NPSR1

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-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 US claimed
US-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 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-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture MCHR2, MCHR1, NPY1R L3MBTL1 3619/4885MAPT 4481/4885TDP1 4015/4885

“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.