SCHEMBL4366784

SCHEMBL4366784

c1ccc2c(CCn3cccc3C3=NCCCN3)cccc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 4/20 0.41
▸ TAAR1 Q96RJ0 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ ADRA2A P08913 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ SLC18A2 Q05940 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.36
▸ DAO P14920 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
SCHEMBL4821389 0.82 NISCH (0.40) NISCHTAAR1MAPK1ADRA2ALMNA
Formic Acid SCHEMBL4909574 0.78 MAPT (0.39) NISCHTAAR1MAPK1ADRA2ALMNA
SCHEMBL4360889 0.77 NISCH (0.58) NISCHTAAR1MAPK1ADRA2ALMNA
SCHEMBL4909575 0.74 MAPT (0.40) NISCHTAAR1MAPK1ADRA2ALMNA
SCHEMBL4006992 0.74 NISCH (0.45) NISCHTAAR1MAPK1ADRA2ALMNA
SCHEMBL4821759 0.72 NISCH (0.41) NISCHTAAR1MAPK1ADRA2ALMNA
Formic Acid SCHEMBL4912608 0.71 NISCH (0.51) NISCHTAAR1MAPK1ADRA2ALMNA
SCHEMBL4824316 0.70 NISCH (0.50) NISCHTAAR1MAPK1ADRA2ALMNA
SCHEMBL4364210 0.70 NISCH (0.50) NISCHTAAR1MAPK1ADRA2ALMNA
SCHEMBL4367522 0.70 NISCH (0.50) NISCHTAAR1MAPK1ADRA2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363890-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2003-11-26 — — EP claimed
WO-2002062766-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-08-15 — — WO claimed
EP-2072050-A1 Compounds with anti-emetic effect Santhera Pharmaceuticals (Schweiz) AG (CH) 2009-06-24 — — EP disclosed
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-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
EP-1644337-A1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Gene Logic, Inc. (US) 2006-04-12 — — EP disclosed
WO-2005121100-A1 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF GENE LOGIC INC. (US) 2005-12-22 — — WO disclosed
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 — — US disclosed
US-6699873-B1 EATING DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2004-03-02 — — US disclosed
EP-1204645-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2002-05-15 — — EP disclosed
WO-2001010842-A2 MELANOCORTIN-4 RECEPTOR BINDING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-02-15 — — WO 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 (2 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 1934/4885TAAR1 216/4885MAPK1 3367/4885
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC1R NISCH 2500/4885TAAR1 248/4885MAPK1 3201/4885

“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.

Send feedback