SCHEMBL5355953

SCHEMBL5355953

NC1CCc2cccc(Br)c2C1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.55
DRD2 P14416 4/20 0.50
DRD3 P35462 4/20 0.50
ADRA1A P35348 1/20 0.43
OPRK1 P41145 1/20 0.40
NR2E1 Q9Y466 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL841205 1.00 PLAU (0.55) PLAUDRD2DRD3ADRA1AOPRK1
Hydrochloric Acid SCHEMBL7239629 0.98 PLAU (0.53) PLAUDRD2DRD3ADRA1AOPRK1
Hydrochloric Acid SCHEMBL7239634 0.98 PLAU (0.53) PLAUDRD2DRD3ADRA1AOPRK1
Hydrochloric Acid SCHEMBL5197466 0.84 DRD2 (0.62) PLAUDRD2DRD3ADRA1AOPRK1
SCHEMBL31324610 0.82 DRD2 (0.46) PLAUDRD2DRD3ADRA1A
SCHEMBL11444214 0.82 DRD2 (0.46) PLAUDRD2DRD3ADRA1A
SCHEMBL23045125 0.78 CHRM3 (0.42)
SCHEMBL14591309 0.78 PLAU (0.55) PLAUDRD2DRD3ADRA1A
SCHEMBL22061859 0.78 DRD2 (0.74) PLAUDRD2DRD3ADRA1A
SCHEMBL3760340 0.78 PLAU (0.55) PLAUDRD2DRD3ADRA1AOPRK1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4244050-A None JP disclosed
US-7157463-B2 Substituted piperidines/piperazines as melanocortin receptor agonists ELI LILLY AND COMPANY (US) 2007-01-02 US disclosed
US-20040058936-A1 Substituted piperidines/piperazines as melanocortin receptor agonists ELI LILLY AND COMPANY 2004-03-25 US disclosed
EP-1368339-A1 SUBSTITUTED PIPERIDINES/PIPERAZINES AS MELANOCORTIN RECEPTOR AGONISTS Eli Lilly & Company (US) 2003-12-10 EP disclosed
WO-2002059107-A1 SUBSTITUTED PIPERIDINES/PIPERAZINES AS MELANOCORTIN RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2002-08-01 WO disclosed
CN-1051990-C Ring-substituted 2-amino-1,2,3,4-tetra-hydronaphthalenes and 3-aminochromones LILLY CO ELI (US) 2000-05-03 CN disclosed
CN-1039967-C Ring-substituted 2-amino-1,2,3,4-tetra-hydronaphthalenes, 3-aminochromanes, and 3-aminothiochromanes LILLY CO ELI (US) 1998-09-30 CN disclosed
US-5637624-A ANTISEROTONIN AGENT ELI LILLY AND COMPANY (US) 1997-06-10 US disclosed
EP-0498590-B1 Ring-substituted 2-amino-1,2,3,4-tetra-hydronaphthalenes LILLY CO ELI (US) 1997-04-09 EP disclosed
EP-0471515-B1 Ring-substituted 2-amino-1,2,3,4-tetra-hydronaphthalenes, 3-aminochromanes and 3-aminothiochromanes LILLY CO ELI (US) 1997-03-05 EP disclosed
EP-0498590-A1 Ring-substituted 2-amino-1,2,3,4-tetra-hydronaphthalenes ELI LILLY AND COMPANY (US) 1992-08-12 EP disclosed
CN-1059903-A Nuclear substituted 2-amino-1,2,3,4 ,-tetraline, the amino thiochroman of the amino dihydrobenzopyrans 3-of 3- LILLY CO ELI (US) 1992-04-01 CN disclosed
US-5096908-A 5-HT1A agonist ELI LILLY AND COMPANY (US) 1992-03-17 US disclosed
EP-0471515-A1 Ring-substituted 2-amino-1,2,3,4-tetra-hydronaphthalenes, 3-aminochromanes and 3-aminothiochromanes ELI LILLY AND COMPANY (US) 1992-02-19 EP disclosed
EP-0455510-A2 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion ELI LILLY AND COMPANY (US) 1991-11-06 EP disclosed
EP-0451008-A1 8-Sulfamylmethylene-2-amino tetralins MERRELL DOW PHARMACEUTICALS INC. (US) 1991-10-09 EP disclosed
CN-1055179-A Novel 8-sulphonamide methylene radical-2-amino-1,2,3,4-tetralin MERRELL DOW PHARMA (US) 1991-10-09 CN disclosed
EP-0447727-A1 Novel 8-sulfamylmethylene-2-amino tetralins MERRELL DOW PHARMACEUTICALS INC. (US) 1991-09-25 EP disclosed
EP-0385658-A1 Ring-substituted 2-amino 1,2,3,4-tetra-hydronaphthalenes and 3-aminochromanes ELI LILLY AND COMPANY (US) 1990-09-05 EP disclosed
CN-1045099-A Ring-substituted 2-amino-1, 2, 3, 4-tetrahydronaphthalenes and 3-aminochromanes LILLY CO ELI (US) 1990-09-05 CN 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-20040058936-A1 Substituted piperidines/piperazines as melanocortin receptor agonists MC1R, MC4R, MC5R PLAU 3800/4885DRD2 272/4885DRD3 321/4885

“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.