SCHEMBL5844909

SCHEMBL5844909

Oc1ccc2c(c1)CC[CH]N2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.55
DRD4 P21917 3/20 0.55
ESR2 Q92731 2/20 0.45
ESR1 P03372 1/20 0.45
HSP90AA1 P07900 1/20 0.39
DRD1 P21728 5/20 0.36
DRD3 P35462 4/20 0.35
DRD5 P21918 3/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
PRKCI P41743 1/20 0.35
NTRK1 P04629 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
OPRK1 P41145 1/20 0.34
PBRM1 Q86U86 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL208741 0.80 AHR (0.43) DRD2DRD4
SCHEMBL208239 0.76 PNMT (0.40)
SCHEMBL59263 0.71 DRD2 (1.00) DRD2DRD4ESR2ESR1HSP90AA1
SCHEMBL20477944 0.70 NPC1 (0.43) HSP90AA1MAOBKDM4EALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL3900412 0.69 DRD2 (0.96) DRD2DRD4ESR2ESR1HSP90AA1
SCHEMBL18373755 0.68 DRD2 (0.46) DRD2DRD4ESR2ESR1HSP90AA1
SCHEMBL208849 0.68 AHR (0.43) DRD4
SCHEMBL532839 0.68 DRD2 (0.78) DRD2DRD4ESR2ESR1DRD1
SCHEMBL29722558 0.68 DRD2 (0.78) DRD2DRD4ESR2ESR1DRD1
SCHEMBL14599092 0.68 DRD2 (0.46) DRD2DRD4ESR2ESR1HSP90AA1

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 14 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

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 384/4885ESR2 923/4885
US-20050171158-A1 Melanocortin receptor ligands MC1R, MC4R, MC5R DRD2 73/4885DRD4 123/4885ESR2 635/4885
US-20050239835-A1 Melanocortin receptor ligands MC1R, MC4R, MC3R DRD2 116/4885DRD4 142/4885ESR2 301/4885
US-20040010010-A1 Melanocortin receptor ligands MC1R, MC4R, MC5R DRD2 102/4885DRD4 132/4885ESR2 346/4885
US-20060247224-A1 Melanocortin receptor ligands MC3R, MC5R, MC1R DRD2 325/4885DRD4 368/4885ESR2 859/4885
US-20030236230-A1 Melanocortin receptor ligands MC1R, MC4R, MC5R DRD2 79/4885DRD4 143/4885ESR2 728/4885

“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.