SCHEMBL6196834

SCHEMBL6196834

COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(C(=O)Oc2ccc([N+](=O)[O-])cc2)C(=O)N1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 20/20 0.51
ADRA1A P35348 20/20 0.51
ADRA1B P35368 20/20 0.51

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
SCHEMBL7674379 1.00 ADRA1D (0.51) ADRA1DADRA1AADRA1B
SCHEMBL6196798 0.92 ADRA1A (0.48) ADRA1DADRA1AADRA1B
SCHEMBL6198625 0.92 ADRA1D (0.45) ADRA1DADRA1AADRA1B
SCHEMBL6193641 0.88 ADRA1D (0.54) ADRA1DADRA1AADRA1B
SCHEMBL7162576 0.88 ADRA1D (0.54) ADRA1DADRA1AADRA1B
SCHEMBL6712159 0.85 ADRA1A (0.46) ADRA1DADRA1AADRA1B
SCHEMBL6715316 0.84 CACNA1F (0.44) ADRA1DADRA1AADRA1B
SCHEMBL6772145 0.82 CACNA1F (0.39) ADRA1DADRA1AADRA1B
SCHEMBL6772155 0.82 CACNA1F (0.39) ADRA1DADRA1AADRA1B
SCHEMBL6784838 0.82 ADRA1A (0.39) ADRA1DADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021185-A4 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2005-09-07 EP disclosed
EP-1562902-A1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE AstraZeneca AB (SE) 2005-08-17 EP disclosed
US-20040242609-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2004-12-02 US disclosed
EP-1299362-A4 SELECTIVE MELANIN CONCENTRATING HORMONE-1 (MCH1) RECEPTOR ANTAGONISTS AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2004-11-03 EP disclosed
WO-2004064774-A2 DNA ENCODING A HUMAN MELANIN CONCENTRATING HORMONE RECEPTOR (MCH1) AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2004-08-05 WO disclosed
US-20040138242-A1 Dihydropyrimidines and uses thereof MERCK AND CO., INC. 2004-07-15 US disclosed
WO-2004043924-A1 2-PYRIDONE DERIVATIVES AS INHIBITORS OF NEUTROPHILE ELASTASE ASTRAZENECA AB (SE) 2004-05-27 WO disclosed
US-6720324-B2 THERAPY FOR EATING DISORDERS, SEXUAL DISORDERS, PSYCHOLOGICAL DISORDERS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-13 US disclosed
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2004-02-26 US disclosed
US-6680323-B2 SELECTIVE ANTAGONISTS FOR HUMAN ALPHA 1A RECEPTORS; BENIGN PROSTATIC HYPERPLASIA; (+)-1-3-((4-(3,4-DIFLUOROPHENYL)-2,5-DIOXO-1,2,5,7-TETRAHYDRO-4H-FURO(3,4 -D)PYRIMIDINE-3-CARBONYL)AMINO)-PROPYL-4-(2-PYRIDYL)-PIPERIDINE SYNAPTIC PHARMACEUTICAL CORPORATION 2004-01-20 US disclosed
WO-2001022919-A2 SPIRO[BICYCLIC -AZACYCLOALKYL AND -CYCLOALKYL] DERIVATIVES AND USES THEREOF MERCK & CO., INC. (US) 2001-04-05 WO disclosed
US-6172066-B1 HYPOTENSIVE AGENTS; ANTICHOLESTEROL AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-01-09 US disclosed
EP-1021185-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-07-26 EP disclosed
EP-0998285-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-05-10 EP disclosed
US-6037354-A ADMINISTERING PHENYL-SUBSTITUTED THIAZOLIDIN-4-ONE OR OXAZOLIDIN-2-ONE DERIVATIVE TO TREAT BENIGN PROSTATE HYPERPLASIA; SIDE EFFECT REDUCTION MERCK & CO., INC. (US) 2000-03-14 US disclosed
EP-0866708-A4 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 1999-05-06 EP disclosed
WO-1998057641-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO disclosed
EP-0866708-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-09-30 EP disclosed
WO-1997042956-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-11-20 WO disclosed
WO-1997017969-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-05-22 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 (3 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-20040138242-A1 Dihydropyrimidines and uses thereof QDPR, DPYD, ADRA1D ADRA1D 3/4885ADRA1A 4/4885ADRA1B 9/4885
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R ADRA1D 100/4885ADRA1A 88/4885ADRA1B 143/4885
US-20040242609-A1 Selective melanin concentrating hormone-1 (MCH1) receptor antagonists and uses thereof MCHR1, MCHR2, MC4R ADRA1D 149/4885ADRA1A 161/4885ADRA1B 156/4885

“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.