SCHEMBL5361640

SCHEMBL5361640

CN(C)C1CCc2cccc(Br)c2C1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.67
CHRM2 P08172 1/20 0.65
CHRM1 P11229 1/20 0.65
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
DRD3 P35462 1/20 0.55
HTR1A P08908 12/20 0.50
HTR7 P34969 12/20 0.50
HTR1D P28221 3/20 0.49
HTR1B P28222 3/20 0.49

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
SCHEMBL6540873 1.00 CHRM3 (0.67) CHRM3CHRM2CHRM1DRD2DRD4
SCHEMBL9759621 0.84 DRD2 (0.49) CHRM3CHRM2CHRM1DRD2DRD4
SCHEMBL9759874 0.83 DRD2 (0.58) DRD2DRD4DRD3HTR1AHTR7
SCHEMBL14591348 0.82 CHRM3 (0.47) CHRM3CHRM2CHRM1
SCHEMBL14591308 0.81 CHRM3 (0.69) CHRM3CHRM2CHRM1DRD2DRD4
SCHEMBL8630151 0.80 HTR1A (0.71) DRD2DRD3HTR1AHTR7HTR1D
SCHEMBL7763389 0.80 HTR1A (0.71) DRD2DRD3HTR1AHTR7HTR1D
SCHEMBL8634782 0.80 HTR1A (0.71) DRD2DRD3HTR1AHTR7HTR1D
SCHEMBL8891132 0.80 CHRM3 (1.00) CHRM3CHRM2CHRM1DRD2DRD3
Hydrochloric Acid SCHEMBL6542162 0.80 CHRM3 (0.67) CHRM3CHRM2CHRM1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5637624-A ANTISEROTONIN AGENT ELI LILLY AND COMPANY (US) 1997-06-10 US disclosed
US-5594034-A ADMINISTERING DIRECT ACTING 5-HYDROXYTRYPTAMINE AGONIST TO MAMMAL ELI LILLY AND COMPANY (US) 1997-01-14 US disclosed
US-5594025-A Method of inhibiting gastric acid secretion with 5-substituted-3-aminochromane ELI LILLY AND COMPANY (US) 1997-01-14 US disclosed
EP-0455510-B1 Use of 5-HT1A receptor agonist compounds for inhibiting gastric acid secretion LILLY CO ELI (US) 1996-11-27 EP disclosed
US-5576352-A Method of inhibiting gastric acid secretion with aryloxypropanolamines ELI LILLY AND COMPANY (US) 1996-11-19 US 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
EP-0447727-A1 Novel 8-sulfamylmethylene-2-amino tetralins MERRELL DOW PHARMACEUTICALS INC. (US) 1991-09-25 EP disclosed
US-5047422-A Treating A Disorder Of The Central Nervous System, Cardiovascular System Or Intestinal Tract BAYER AKTIENGESELLSCHAFT (DE) 1991-09-10 US disclosed
US-4968679-A DISORDERS OF CENTRAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM OR INTESTINAL TRACT BAYER AKTIENGESELLSCHAFT (DE) 1990-11-06 US 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
US-4873262-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, CARDIIOVASCULAR SYSTEM OR INTESTINAL TRACT BAYER AKTIENGESELLSCHAFT (DE) 1989-10-10 US disclosed
CN-87101285-A 8-replaces-2-amino-1,2,3, the 4-tetrahydro-bitter edible plant 1988-08-17 CN disclosed
EP-0272534-A2 8-substituted 2-aminotetralins BAYER AG (DE) 1988-06-29 EP 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 CHRM3 270/4885CHRM2 520/4885CHRM1 363/4885

“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.