SCHEMBL4823054

SCHEMBL4823054

COc1ccccc1CCc1c(Cl)cccc1CNC1=NCCN1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.50
▸ WDR5 P61964 13/20 0.48
▸ LMNA P02545 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NLRP3 Q96P20 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ APOBEC3A P31941 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ APOBEC3G Q9HC16 1/20 0.43
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ SLC22A1 O15245 1/20 0.41
▸ SLC22A3 O75751 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ HRH2 P25021 1/20 0.41

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
SCHEMBL5793349 0.92 KCNH2 (0.64) KCNH2WDR5
SCHEMBL4816195 0.88 KCNH2 (0.67) KCNH2WDR5
SCHEMBL6670018 0.84 LMNA (0.54) WDR5LMNASMN1; SMN2NLRP3GAA
SCHEMBL560769 0.78 ADRA2A (0.51) WDR5LMNASMN1; SMN2NLRP3GAA
SCHEMBL560777 0.77 LMNA (0.56) WDR5LMNASMN1; SMN2NLRP3GAA
Iodide SCHEMBL16227866 0.76 LMNA (0.59) WDR5LMNASMN1; SMN2NLRP3GAA
SCHEMBL8148008 0.75 LMNA (0.52) WDR5LMNASMN1; SMN2NLRP3GAA
SCHEMBL560655 0.75 ADRA2A (0.55) WDR5LMNASMN1; SMN2NLRP3GAA
SCHEMBL560745 0.73 LMNA (0.55) WDR5LMNASMN1; SMN2NLRP3GAA
SCHEMBL8133648 0.73 ADRA2A (0.52) WDR5LMNASMN1; SMN2NLRP3GAA

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 9 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-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

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 KCNH2 3035/4885WDR5 1206/4885LMNA 2506/4885
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC1R KCNH2 3648/4885WDR5 2073/4885LMNA 2558/4885

“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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