SCHEMBL4821389

SCHEMBL4821389

O=c1cccc(C2=NCCCN2)n1CCc1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ TAAR1 Q96RJ0 2/20 0.40
▸ ADRA2A P08913 2/20 0.40
▸ ADRA1A P35348 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ DAO P14920 1/20 0.40
▸ GAA P10253 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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 SCHEMBL4909574 0.95 MAPT (0.39) NISCHMAPTMAPK1TAAR1ADRA2A
SCHEMBL4909575 0.83 MAPT (0.40) NISCHMAPTMAPK1TAAR1ADRA2A
SCHEMBL4366784 0.82 NISCH (0.41) NISCHMAPTMAPK1TAAR1ADRA2A
SCHEMBL4360889 0.75 NISCH (0.58) NISCHMAPTMAPK1TAAR1ADRA2A
SCHEMBL4006992 0.72 NISCH (0.45) NISCHMAPTMAPK1TAAR1ADRA2A
Formic Acid SCHEMBL4912608 0.72 NISCH (0.51) NISCHMAPTMAPK1TAAR1ADRA2A
SCHEMBL14027009 0.69 NISCH (0.50) NISCHMAPTMAPK1TAAR1ADRA2A
SCHEMBL4367522 0.69 NISCH (0.50) NISCHMAPTMAPK1TAAR1ADRA2A
SCHEMBL4364210 0.69 NISCH (0.50) NISCHMAPTMAPK1TAAR1ADRA2A
SCHEMBL4824316 0.69 NISCH (0.50) NISCHMAPTMAPK1TAAR1ADRA2A

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-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-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 1934/4885MAPT 3726/4885MAPK1 3367/4885

“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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