SCHEMBL5844898

SCHEMBL5844898

Oc1ccc2c(c1)CCN[C]2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.48
DRD4 P21917 2/20 0.48
DRD1 P21728 5/20 0.42
DRD3 P35462 3/20 0.38
DRD5 P21918 2/20 0.38
TYR P14679 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PRKCI P41743 1/20 0.34
HSP90AA1 P07900 1/20 0.34
OPRK1 P41145 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
ADCY6 O43306 1/20 0.33
ADCY3 O60266 1/20 0.33
ADCY9 O60503 1/20 0.33
ADCY5 O95622 1/20 0.33
ADCY8 P40145 1/20 0.33
ADCY7 P51828 1/20 0.33
ADCY2 Q08462 1/20 0.33

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
SCHEMBL9756717 0.85 DRD2 (0.44) DRD2DRD4DRD1DRD3DRD5
SCHEMBL7137780 0.77 PNMT (0.47) KDM1A
SCHEMBL10399612 0.73 HTR2C (0.45) DRD2DRD4DRD1DRD3DRD5
SCHEMBL2998 0.71 HTR2C (0.46) DRD2DRD1MAOB
SCHEMBL7472016 0.69 DRD2 (0.39) DRD2DRD4DRD1DRD3DRD5
SCHEMBL31317940 0.67 DRD2 (0.79) DRD2DRD4DRD1DRD3DRD5
SCHEMBL4030395 0.67 DRD2 (0.79) DRD2DRD4DRD1DRD3DRD5
SCHEMBL3106114 0.67 MAOA (0.43) DRD2DRD4DRD1DRD3DRD5
Bromide SCHEMBL10703420 0.65 DRD2 (0.76) DRD2DRD4DRD1DRD3DRD5
SCHEMBL59263 0.65 DRD2 (1.00) DRD2DRD4DRD1DRD3DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132539-B2 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY (US) 2006-11-07 US disclosed
US-20060247224-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2006-11-02 US disclosed
US-7026335-B2 Melanocortin receptor ligands THE PROCTER & GAMBLE CO. (US) 2006-04-11 US disclosed
US-20050239835-A1 Melanocortin receptor ligands EBETINO FRANK H 2005-10-27 US disclosed
US-20050171158-A1 Melanocortin receptor ligands EBETINO FRANK H (US) 2005-08-04 US disclosed
EP-1556361-A2 2-ALKYL-(2-AMINO-3-ARYL-PROPIONYL)-PIPERAZINE DERIVATIVES AND RELATED COMPOUNDS AS MELANOCORTIN RECEPTOR LIGANDS FOR THE TREATMENT OF OBESITY THE PROCTER & GAMBLE COMPANY (US) 2005-07-27 EP disclosed
EP-1499588-A1 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2005-01-26 EP disclosed
EP-1499314-A1 N-ACYL PIPERIDINE DERIVATIVES FOR USE AS MELANOCORTIN RECEPTOR LIGANDS IN THE TREATMENT OF FEEDING DISORDERS The Procter & Gamble Company (US) 2005-01-26 EP disclosed
US-20050010031-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2005-01-13 US disclosed
WO-2004037797-A2 2 - ALKYL - (2 - AMINO - 3 - ARYL - PROPIONYL) - PIPERAZINE DERIVATIVES AND RELATED COMPOUNDS AS MELANOCORTIN RECEPTOR LIGANDS FOR THE TREATMENT OF OBESITY THE PROCTER & GAMBLE COMPANY (US) 2004-05-06 WO disclosed
US-20040010010-A1 Melanocortin receptor ligands PROCTER & GAMBLE COMPANY, THE 2004-01-15 US disclosed
US-20030236230-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2003-12-25 US disclosed
WO-2003092690-A1 N-ACYL PIPERIDINE DERIVATIVES FOR USE AS MELANOCORTIN RECEPTOR LIGANDS IN THE TREATMENT OF FEEDING DISORDERS THE PROCTER & GAMBLE COMPANY (US) 2003-11-13 WO disclosed
WO-2003093234-A1 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2003-11-13 WO disclosed
WO-1992000072-A1 TETRAHYDROISOQUINOLINYLCARBAMATES OF 1,2,3,3A,8,8A-HEXAHYDRO-1,3A,8-TRIMETHYLPYRROLO[2,3-B]INDOLE HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-01-09 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 (6 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-20050010031-A1 Melanocortin receptor ligands MC3R, MC5R, MC1R DRD2 346/4885DRD4 384/4885DRD1 646/4885
US-20050171158-A1 Melanocortin receptor ligands MC1R, MC4R, MC5R DRD2 73/4885DRD4 123/4885DRD1 116/4885
US-20050239835-A1 Melanocortin receptor ligands MC1R, MC4R, MC3R DRD2 116/4885DRD4 142/4885DRD1 174/4885
US-20040010010-A1 Melanocortin receptor ligands MC1R, MC4R, MC5R DRD2 102/4885DRD4 132/4885DRD1 120/4885
US-20060247224-A1 Melanocortin receptor ligands MC3R, MC5R, MC1R DRD2 325/4885DRD4 368/4885DRD1 609/4885
US-20030236230-A1 Melanocortin receptor ligands MC1R, MC4R, MC5R DRD2 79/4885DRD4 143/4885DRD1 120/4885

“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.