SCHEMBL4909575

SCHEMBL4909575

O=C(O)c1ccc(C2=NCCCN2)n(CCc2cccc3ccccc23)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.40
▸ KDM4A O75164 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ CMA1 P23946 2/20 0.36
▸ NISCH Q9Y2I1 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ TAAR1 Q96RJ0 2/20 0.35
▸ ADRA2A P08913 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ DAO P14920 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SLC12A2 P55011 1/20 0.35

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
SCHEMBL4821389 0.83 NISCH (0.40) MAPTNISCHMAPK1TAAR1ADRA2A
Formic Acid SCHEMBL4909574 0.81 MAPT (0.39) MAPTNISCHMAPK1TAAR1ADRA2A
SCHEMBL4366784 0.74 NISCH (0.41) MAPTNISCHMAPK1TAAR1ADRA2A
SCHEMBL4360889 0.70 NISCH (0.58) MAPTNISCHMAPK1TAAR1ADRA2A
Formic Acid SCHEMBL4912608 0.69 NISCH (0.51) MAPTNISCHMAPK1TAAR1ADRA2A
SCHEMBL4006992 0.67 NISCH (0.45) MAPTNISCHMAPK1TAAR1ADRA2A
SCHEMBL4824316 0.64 NISCH (0.50) MAPTNISCHMAPK1TAAR1ADRA2A
SCHEMBL14027009 0.64 NISCH (0.50) MAPTNISCHMAPK1TAAR1ADRA2A
SCHEMBL4364210 0.64 NISCH (0.50) MAPTNISCHMAPK1TAAR1ADRA2A
SCHEMBL4367522 0.64 NISCH (0.50) MAPTNISCHMAPK1TAAR1ADRA2A

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 1 patent. 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

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 MAPT 3726/4885KDM4A 1425/4885KDM4C 1473/4885

“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.

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