SCHEMBL6809963

SCHEMBL6809963

CC(C)(C)OC(=O)N(CCc1cccs1)Cc1ccccc1N1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 9/20 0.42
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39
HTR1A P08908 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MC3R P41968 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL6252826 0.82 MC4R (0.47) MC4RSMN1; SMN2POLBTSHR
SCHEMBL6809668 0.78 MC4R (0.66) MC4RMC3R
SCHEMBL6809670 0.78 MC4R (0.66) MC4RMC3R
SCHEMBL20141640 0.75 HTR1A (0.40) HTR1ASLC6A2SLC6A4SLC6A3DRD2
SCHEMBL20157167 0.74 HTR1A (0.43) HTR1ASLC6A2SLC6A4SLC6A3DRD2
SCHEMBL14355991 0.70 HTR1A (0.50) HTR1ASLC6A2SLC6A4SLC6A3DRD2
SCHEMBL8304064 0.69 POLB (0.58) SMN1; SMN2POLBTSHRALDH1A1MAPT
SCHEMBL6990507 0.69 DRD2 (0.48) HTR1ASLC6A2SLC6A4SLC6A3DRD2
SCHEMBL14355993 0.69 HTR6 (0.47) HTR1ASLC6A2SLC6A4SLC6A3DRD2
SCHEMBL14355990 0.68 HTR1A (0.49) HTR1ASLC6A2SLC6A4SLC6A3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040053933-A1 Ligands of melanocortin receptors and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. 2004-03-18 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-20040053933-A1 Ligands of melanocortin receptors and compositions and methods related thereto MC3R, MC1R, MC5R MC4R 4/4885SMN1; SMN2 4275/4885POLB 4354/4885

“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.