SCHEMBL6490484

SCHEMBL6490484

CC(C)CC(=O)c1ccccc1N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.47
MC4R P32245 3/20 0.47
GAA P10253 1/20 0.46
DRD2 P14416 2/20 0.44
DRD3 P35462 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR3A P46098 1/20 0.44
HTR6 P50406 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HTR1A P08908 1/20 0.43
DRD4 P21917 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
MAPT P10636 2/20 0.43
HTR7 P34969 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL5847089 0.85 GAA (0.58) MC4RGAAMAPTMEN1ALDH1A1
SCHEMBL27818370 0.84 ADRB1 (0.51) ADRB1DRD2DRD3HTR3EHTR3B
SCHEMBL9765989 0.81 ADRB1 (0.49) ADRB1DRD2DRD3HTR3EHTR3B
SCHEMBL109882 0.80 ADRB1 (0.55) ADRB1HTR3EHTR3BHTR3AHTR6
SCHEMBL4458672 0.79 ADRB1 (0.56) ADRB1DRD2DRD3HTR3EHTR3B
SCHEMBL31349267 0.79 ADRB1 (0.56) ADRB1DRD2DRD3HTR3EHTR3B
SCHEMBL5707829 0.78 ADRB1 (0.56) ADRB1DRD2DRD3HTR3EHTR3B
Hydrochloric Acid SCHEMBL2322522 0.77 ADRB1 (0.54) ADRB1DRD2DRD3HTR3EHTR3B
SCHEMBL14356046 0.77 GAA (0.78) GAAMAPTLMNAMEN1ALDH1A1
SCHEMBL1450313 0.75 NPC1 (0.70) ADRB1DRD2DRD3HTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119252-A1 Ligands of melanocortin receptors and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-06-02 US disclosed
WO-2005042516-A2 LIGANDS OF MELANOCORTIN RECEPTORS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2005-05-12 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 (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-20050119252-A1 Ligands of melanocortin receptors and compositions and methods related thereto MC3R, MC1R, MC4R ADRB1 91/4885MC4R 3/4885GAA 3691/4885

“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.