SCHEMBL6745147

SCHEMBL6745147

COc1ccccc1Oc1ccccc1C1=NCCCN1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 7/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
PDCD1LG2 Q9BQ51 4/20 0.42
CD274 Q9NZQ7 4/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
RUVBL1 Q9Y265 1/20 0.40

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 SCHEMBL4820051 0.92 NISCH (0.41) NISCHGAATSHRPDCD1LG2CD274
SCHEMBL4815718 0.82 NISCH (0.54) NISCHGAATSHR
SCHEMBL6746697 0.81 NISCH (0.58) NISCHGAATSHRPDCD1LG2CD274
SCHEMBL4822617 0.80 NISCH (0.42) NISCHGAATSHRADRA2AADRA2B
Hydrochloric Acid SCHEMBL4910323 0.78 NISCH (0.46) NISCHGAATSHRADRA2AADRA2B
SCHEMBL6747069 0.77 NISCH (0.47) NISCHGAATSHR
SCHEMBL4823582 0.77 KDM4E (0.41) NISCHGAATSHR
SCHEMBL8194659 0.76 NISCH (0.58) NISCHPDCD1LG2CD274ADRA2AADRA2B
SCHEMBL4370780 0.76 NISCH (0.48) NISCHGAATSHR
SCHEMBL4360508 0.76 NISCH (0.45) NISCHGAATSHR

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.