Sugi Predict

Sugi Predict / Compounds / SCHEMBL6661600

SCHEMBL6661600

SCHEMBL6661600

CCOC(=O)c1sc2ccc(Cl)c3c2c1CN(C)CC3

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA2A P08913 3/20 0.61
▸ ADRA2B P18089 3/20 0.61
▸ ADRA2C P18825 3/20 0.61
▸ ADRA1D P25100 3/20 0.61
▸ ADRA1A P35348 3/20 0.61
▸ ADRA1B P35368 3/20 0.61
▸ KDM4E B2RXH2 12/20 0.46
▸ ALDH1A1 P00352 9/20 0.46
▸ L3MBTL1 Q9Y468 7/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ KMT2A Q03164 7/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.42
▸ GAA P10253 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ THRB P10828 1/20 0.40

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 SCHEMBL6660045 0.99 ADRA2A (0.60) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL10480272 0.98 ADRA2A (0.58) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9380029 0.89 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9533878 0.89 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9378974 0.88 KDM4E (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9376420 0.87 ADRA2A (0.58) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9378609 0.87 ADRA2A (0.58) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9376108 0.87 ALDH1A1 (0.45) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9378871 0.87 KDM4E (0.48) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL9379786 0.87 KDM4E (0.47) 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 43 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-0344981-A2 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 — — EP 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-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-1989012053-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 — — WO disclosed
WO-1989012054-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 — — WO disclosed
EP-0344979-A2 Alfa-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 — — EP disclosed
EP-0344981-A2 Alpha-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.