SCHEMBL4824316

SCHEMBL4824316

c1ccc(C2=NCCCN2)c(SCCc2cccc3ccccc23)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 7/20 0.50
MAPK1 P28482 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
CYP2D6 P10635 2/20 0.41
LMNA P02545 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 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
SMN1; SMN2 Q16637 1/20 0.39
NLRP3 Q96P20 1/20 0.39
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 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
SCHEMBL4073703 0.90 NISCH (0.53) NISCHMAPK1TAAR1CYP2D6LMNA
SCHEMBL4360889 0.87 NISCH (0.58) NISCHMAPK1TAAR1CYP2D6LMNA
SCHEMBL4158125 0.82 NISCH (0.53) NISCHMAPK1TAAR1CYP2D6LMNA
Formic Acid SCHEMBL4912608 0.81 NISCH (0.51) NISCHMAPK1TAAR1CYP2D6LMNA
SCHEMBL4822940 0.79 NISCH (0.70) NISCHMAPK1TAAR1CYP2D6LMNA
SCHEMBL4157749 0.78 NISCH (0.41) NISCHMAPK1TAAR1CYP2D6LMNA
SCHEMBL4819055 0.78 NISCH (0.45) NISCHCYP2D6LMNAGAATSHR
SCHEMBL14027009 0.77 NISCH (0.50) NISCHMAPK1TAAR1CYP2D6LMNA
SCHEMBL4367522 0.77 NISCH (0.50) NISCHMAPK1TAAR1CYP2D6LMNA
SCHEMBL4364210 0.77 NISCH (0.50) NISCHMAPK1TAAR1CYP2D6LMNA

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 6 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

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 1934/4885MAPK1 3367/4885TAAR1 216/4885

“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.