SCHEMBL6746697

SCHEMBL6746697

c1ccc(C2=NCCCN2)c(Oc2cccc3ccccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 11/20 0.58
GAA P10253 2/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDCD1LG2 Q9BQ51 2/20 0.38
CD274 Q9NZQ7 2/20 0.38

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
Formic Acid SCHEMBL4813959 0.93 NISCH (0.51) NISCHGAATSHRKDM4EALDH1A1
SCHEMBL4815704 0.92 NISCH (0.70) NISCHMAPTPDCD1LG2CD274
Formic Acid SCHEMBL4915522 0.85 NISCH (0.60) NISCHGAAKDM4EALDH1A1MAPT
SCHEMBL4365831 0.81 NISCH (0.55) NISCHGAATSHRKDM4EMAPT
SCHEMBL4362442 0.81 NISCH (0.52) NISCHGAATSHRKDM4EMAPT
SCHEMBL6745147 0.81 NISCH (0.47) NISCHGAATSHRPDCD1LG2CD274
SCHEMBL4815718 0.80 NISCH (0.54) NISCHGAATSHR
SCHEMBL6747069 0.80 NISCH (0.47) NISCHGAATSHR
SCHEMBL4360889 0.76 NISCH (0.58) NISCHGAATSHRMAPT
SCHEMBL4819265 0.75 NISCH (0.57) NISCHGAATSHRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-6699873-B1 EATING DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2004-03-02 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-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC3R NISCH 1934/4885GAA 2982/4885TSHR 47/4885

“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.