SCHEMBL4672887

SCHEMBL4672887

Oc1ccc2cc(CNCc3ccccc3)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.51
SLC2A4 P14672 1/20 0.51
CYP1A2 P05177 1/20 0.50
DRD4 P21917 2/20 0.49
DRD2 P14416 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
DRD3 P35462 1/20 0.49
MC5R P33032 2/20 0.49
MAPK1 P28482 1/20 0.49
MC4R P32245 1/20 0.49
HDAC1 Q13547 2/20 0.48
ROCK1 Q13464 1/20 0.48
PKM P14618 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47

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
Bromide SCHEMBL11280236 0.85 BCHE (0.59) BCHEDRD4DRD2ADRA1DADRA1A
SCHEMBL4017226 0.85 MC5R (0.65) BCHECYP1A2MC5RMAPK1MC4R
Hydrochloric Acid SCHEMBL11270003 0.84 PKM (0.54) BCHEMC5RMAPK1MC4RHDAC1
Hydrochloric Acid SCHEMBL31120721 0.83 MC5R (0.62) BCHECYP1A2MC5RMAPK1MC4R
Hydrochloric Acid SCHEMBL31120720 0.83 MC5R (0.62) BCHECYP1A2MC5RMAPK1MC4R
SCHEMBL4427375 0.82 DRD4 (0.59) BCHEDRD4PKM
SCHEMBL19831675 0.80 MC5R (0.42) CYP1A2MC5RMAPK1MC4RESR1
Acetic Acid SCHEMBL11275546 0.80 BCHE (0.53) BCHEHDAC1
SCHEMBL9416667 0.79 SLC2A4 (0.71) BCHESLC2A4CYP1A2DRD4DRD2
SCHEMBL10958615 0.79 ALOX5 (0.59) CYP1A2PKMESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100467443-C 6-(aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH CORP (US) 2009-03-11 CN disclosed
EP-1397341-B1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH CORP (US) 2008-08-06 EP disclosed
CN-1543453-A 6- (aryl-amido or aryl-amidomethyl) -naphthalen-2-yloxy-acid derivatives as plasminogen activator inhibitor type 1 (PAI-1) 2004-11-03 CN disclosed
EP-1397341-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) Wyeth (US) 2004-03-17 EP disclosed
US-6589970-B2 This invention provides novel compounds, pharmaceutical compositions and methods of treating thrombotic disorders in mammals, the compounds having the formula: WYETH 2003-07-08 US disclosed
US-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) WYETH 2003-03-06 US disclosed
WO-2003000649-A1 6-(ARYL-AMIDO OR ARYL-AMIDOMETHYL)-NAPHTHALEN-2-YLOXY-ACIDIC DERIVATIVES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 (PAI-1) WYETH (US) 2003-01-03 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 (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-20030045560-A1 6-(Aryl-amido or aryl-amidomethyl)-naphthalen-2-yloxy-acidic derivatives as inhibitors of plasminogen activator inhibitor type-1 (PAI-1) SERPINC1, F11, SERPINE1 BCHE 2874/4885SLC2A4 4055/4885CYP1A2 766/4885

“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.