SCHEMBL4822873

SCHEMBL4822873

COc1ccc2ccccc2c1CCc1ccccc1C1=NCCN1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NISCH Q9Y2I1 6/20 0.61
▸ MC4R P32245 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ SLC6A4 P31645 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADRA2A P08913 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
▸ MAPK1 P28482 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ TAAR1 Q96RJ0 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
SCHEMBL4360835 0.94 NISCH (0.53) NISCHMC4RKCNH2SLC6A4
SCHEMBL4825416 0.85 NISCH (0.56) NISCHLMNAHTR1AADRA2ACYP2D6
SCHEMBL4822940 0.81 NISCH (0.70) NISCHLMNAHTR1AADRA2ACYP2D6
SCHEMBL4373220 0.81 MC4R (0.48) NISCHMC4RKCNH2LMNAHTR1A
SCHEMBL4364559 0.79 NISCH (0.47) NISCHLMNAHTR1AADRA2ACYP2D6
SCHEMBL4823850 0.78 MC4R (0.57) NISCHMC4RKCNH2ADRA1ATAAR1
SCHEMBL4824759 0.78 MC4R (0.62) NISCHMC4RKCNH2
SCHEMBL4822629 0.77 KCNH2 (0.61) NISCHMC4RKCNH2
SCHEMBL4819955 0.77 MC4R (0.74) NISCHMC4RKCNH2
SCHEMBL4160968 0.77 NISCH (0.51) NISCHMC4RKCNH2MAPT

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 NISCH 1934/4885MC4R 1/4885KCNH2 3035/4885
US-20040082779-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC1R NISCH 2500/4885MC4R 1/4885KCNH2 3648/4885

“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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