SCHEMBL4960734

SCHEMBL4960734

C=CCN(Cl)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PYCR1 P32322 1/20 0.39
AOC3 Q16853 1/20 0.39
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
G6PC1 P35575 1/20 0.37

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
SCHEMBL28651481 0.80 TAAR1 (0.45) GAAAOC3NPC1RAB9ABCHE
SCHEMBL7867637 0.79 ALDH1A1 (0.55) ALDH1A1TSHRCA12CA9CA1
SCHEMBL2688603 0.78 BCHE (0.49) GAAALDH1A1TSHRPYCR1AOC3
SCHEMBL516674 0.78 BCHE (0.49) GAAALDH1A1TSHRPYCR1AOC3
SCHEMBL4446654 0.77 GAA (0.44) GAAALDH1A1TSHRCA12CA9
SCHEMBL11813538 0.77 GAA (0.44) GAAALDH1A1TSHRCA12CA9
Hydrochloric Acid SCHEMBL10548138 0.77 BCHE (0.48) GAAALDH1A1TSHRPYCR1GRIN2D
SCHEMBL4397375 0.77 GAA (0.44) GAAALDH1A1TSHRCA12CA9
Hydrochloric Acid SCHEMBL3752186 0.77 BCHE (0.48) GAAALDH1A1TSHRPYCR1AOC3
Benzene SCHEMBL10352412 0.77 CYP1A2 (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001041763-A1 TREATMENT OF ADDICTION DISORDERS UNIVERSITY OF CINCINNATI (US) 2001-06-14 WO claimed
US-20080089859-A1 ADMINISTRATION OF SLEEP RESTORATIVE AGENTS HOLMAN ANDREW 2008-04-17 US disclosed
EP-1311251-A2 USE OF DOPAMINE D2/D3 RECEPTOR AGONISTS TO TREAT FIBROMYALGIA Holman, Andrew J. (US) 2003-05-21 EP disclosed
US-20020165246-A1 Administration of sleep restorative agents HOLMAN ANDREW (US) 2002-11-07 US disclosed
WO-2002069974-A1 ADMINISTRATION OF SLEEP RESTORATIVE AGENTS HOLMAN ANDREW (US) 2002-09-12 WO disclosed
WO-2002005797-A2 USE OF DOPAMINE D2/D3 RECEPTOR AGONISTS TO TREAT FIBROMYALGIA HOLMAN ANDREW J (US) 2002-01-24 WO disclosed
US-6300365-B1 ADMINISTERING NON-ERGOT DOPAMINE D.SUB.2 /D.SUB.3 RECEPTOR AGONIST OR ACID ADDITION SALT COMPRISING 3(H)-INDOLONE COMPOUND FOR THERAPY OF FIBROMYALGIA INMEDIX, LLC 2001-10-09 US disclosed
US-6277875-B1 FIBROMYALGIA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2001-08-21 US disclosed
WO-2001041763-A1 TREATMENT OF ADDICTION DISORDERS UNIVERSITY OF CINCINNATI (US) 2001-06-14 WO disclosed
EP-0358284-B1 Derivatized alkanolamines as cardiovascular agents SCHERING AG (DE) 1997-08-20 EP disclosed
US-5051423-A Derivatized alkanolamines as cardiovascular agents SCHERING AG (DE) 1991-09-24 US disclosed
WO-1990000548-A2 DERIVATIZED ALKANOLAMINES AS CARDIOVASCULAR AGENTS SCHERING AKTIENGESELLSCHAFT BERLIN AND BERGKAMEN (DE) 1990-01-25 WO disclosed
US-4886812-A REGULATING DOPAMINE CONCENTRATION; PARKINSON DISEASE, HYPOTENSIVE AGENT, SCHIZOPHRENIA DR. KARL THOMAE GMBH (DE) 1989-12-12 US disclosed
US-4843086-A HYPOTENSIVE AGENTS, SCHIZOPHRENIA, PARKINSON'S DISEASE BOEHRINGER INGELHEIM KG (DE) 1989-06-27 US disclosed
US-4731374-A PARKINSON*S DISEASE DR. KARL THOMAE GMBH (DE) 1988-03-15 US 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-20020165246-A1 Administration of sleep restorative agents GAP43, PER2, PSAP GAA 566/4885ALDH1A1 1071/4885TSHR 4696/4885
US-20080089859-A1 ADMINISTRATION OF SLEEP RESTORATIVE AGENTS GAP43, PER2, PSAP GAA 529/4885ALDH1A1 1002/4885TSHR 4706/4885

“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.