SCHEMBL6661626

SCHEMBL6661626

CN1CCc2c(Cl)ccc3sc(CO)c(c23)C1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 6/20 0.79
ADRA2B P18089 6/20 0.79
ADRA2C P18825 6/20 0.79
ADRA1D P25100 6/20 0.79
ADRA1A P35348 6/20 0.79
ADRA1B P35368 6/20 0.79
CYP2D6 P10635 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ASIC3 Q9UHC3 1/20 0.34
HTR1A P08908 1/20 0.33
HTR1B P28222 1/20 0.33
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
MKNK1 Q9BUB5 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
Hydrochloric Acid SCHEMBL9384136 0.99 ADRA2A (0.77) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9380820 0.88 ADRA2A (0.81) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8605175 0.88 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9380868 0.88 ADRA2A (0.72) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9377952 0.87 ADRA2A (0.97) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9536107 0.87 ADRA2A (0.79) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9380512 0.87 ADRA2A (0.79) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9383736 0.87 ADRA2A (0.70) ADRA2AADRA2BADRA2CADRA1DADRA1A
Hydrochloric Acid SCHEMBL9534711 0.86 ADRA2A (0.77) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9379609 0.86 ADRA2A (0.81) ADRA2AADRA2BADRA2CADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344981-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1994-08-03 EP claimed
WO-1989012053-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO claimed
EP-0663014-B1 DNA ENCODING HUMAN ALPHA 1 ADRENERGIC RECEPTORS AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2004-08-18 EP disclosed
US-6602888-B2 Binds to a human alpha 1C adrenergic receptor with a binding affinity greater than ten-fold higher than the binding affinity with which the compound binds to a human alpha 1A adrenergic receptor SYNAPTIC PHARMACEUTICAL CORPORATION 2003-08-05 US disclosed
US-20030113772-A1 DNA encoding human alpha 1 adrenergic receptors and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2003-06-19 US disclosed
US-20030113771-A1 DNA encoding human alpha 1 adrenergic receptors and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2003-06-19 US disclosed
US-20030022900-A1 Compositions comprising alpha-1C specific compounds SYNAPTIC PHARMACEUTICAL CORPORATION 2003-01-30 US disclosed
US-6448011-B1 ISOLATED NUCLEIC ACID, VECTORS, TRANSFORMED MAMMALIAN CELLS AND NON-HUMAN TRANSGENIC ANIMALS THAT ENCODE AND EXPRESS NORMAL OR MUTANT ADRENERGIC RECEPTOR GENES. SYNAPTIC PHARMACEUTICAL CORPORATION 2002-09-10 US disclosed
US-20020032219-A1 USE OF ALPHA-1C SPECIFIC COMPOUNDS TO TREAT BENIGN PROSTATIC HYPERPLASIA H. LUNDBECK A/S (DK) 2002-03-14 US disclosed
EP-1063292-A2 DNA encoding human alpha 1 adrenergic receptors and uses thereof Synaptic Pharmaceutical Corporation (US) 2000-12-27 EP disclosed
EP-1063291-A2 DNA encoding human alpha 1 adrenergic receptors and uses thereof Synaptic Pharmaceutical Corporation (US) 2000-12-27 EP disclosed
EP-0384677-B1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1993-12-01 EP disclosed
US-5006521-A α-adrenergic receptor antagonists and methods of use thereas SMITHKLINE BEECHAM CORPORATION (US) 1991-04-09 US disclosed
US-4981848-A CARDIOVASCULAR, HYPOTENSIVE, ANTIDEPRESSANT SMITHKLINE BEECHAM CORPORATION (US) 1991-01-01 US disclosed
US-4963547-A HYPOTENSIVE AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1990-10-16 US disclosed
EP-0384677-A1 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-08-29 EP disclosed
WO-1989012054-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO disclosed
WO-1989012053-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO disclosed
EP-0344981-A2 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 EP disclosed
EP-0344979-A2 Alfa-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 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 (2 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-20030022900-A1 Compositions comprising alpha-1C specific compounds ADRB1, ADRA1B, ADRA1A ADRA2A 9/4885ADRA2B 6/4885ADRA2C 8/4885
US-20020032219-A1 USE OF ALPHA-1C SPECIFIC COMPOUNDS TO TREAT BENIGN PROSTATIC HYPERPLASIA ADRB1, ADRA1B, ADRA1A ADRA2A 9/4885ADRA2B 5/4885ADRA2C 7/4885

“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.